1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal

C75H71F12N3O — CID 160678050

IUPAC1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
SMILESC=Cc1cccc(C(F)(F)F)c1.CC(/N=C/CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.CC(N)c1cccc2ccccc12.CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.O=CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N.C22H20F3N.C12H13N.C10H9F3O.C9H7F3/c2*1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-2-7-4-3-5-8(6-7)9(10,11)12/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;2-5,7,9-16H,6,8H2,1H3;2-9H,13H2,1H3;1,3,5-7H,2,4H2;2-6H,1H2/b;26-14+;;;
InChIKeyRNTYFDHRLXQHJM-CETUZPOSSA-N
MW1258.39 g/mol
LogP21.81
Rot. Bonds16

About 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal

1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal (PubChem CID 160678050) has the molecular formula C75H71F12N3O and a molecular weight of 1258.39 g/mol. Its IUPAC name is 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal.

Molecular Properties

Compound Name1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
PubChem CID160678050
Molecular FormulaC75H71F12N3O
Molecular Weight1258.39 g/mol
Exact Mass1257.54
IUPAC Name1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
SMILESC=Cc1cccc(C(F)(F)F)c1.CC(/N=C/CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.CC(N)c1cccc2ccccc12.CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.O=CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N.C22H20F3N.C12H13N.C10H9F3O.C9H7F3/c2*1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-2-7-4-3-5-8(6-7)9(10,11)12/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;2-5,7,9-16H,6,8H2,1H3;2-9H,13H2,1H3;1,3,5-7H,2,4H2;2-6H,1H2/b;26-14+;;;
InChIKeyRNTYFDHRLXQHJM-CETUZPOSSA-N
XLogP21.81
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.39
LogP ≤ 521.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal with MolForge

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Related Compounds

(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
CID 158763688
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine
CID 58915478
bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile
CID 157442537
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
CID 174834815
N-[(1R)-1-naphthalen-1-ylethyl]-3-[2,3,4,6-tetradeuterio-5-(trifluoromethyl)phenyl]propan-1-amine
CID 46241260
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
N-[1-(2-methyl-1-benzofuran-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 68813678
3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 50993016
N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 75180909

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal?
The IUPAC name of 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal (CID 160678050) is 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal.
What is the SMILES notation for 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal?
The canonical SMILES for 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal is C=Cc1cccc(C(F)(F)F)c1.CC(/N=C/CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.CC(N)c1cccc2ccccc12.CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.O=CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal?
The InChIKey is RNTYFDHRLXQHJM-CETUZPOSSA-N. The full InChI is InChI=1S/C22H22F3N.C22H20F3N.C12H13N.C10H9F3O.C9H7F3/c2*1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;1-2-7-4-3-5-8(6-7)9(10,11)12/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;2-5,7,9-16H,6,8H2,1H3;2-9H,13H2,1H3;1,3,5-7H,2,4H2;2-6H,1H2/b;26-14+;;;.
What are the key properties of 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal?
1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal has a molecular weight of 1258.39 g/mol, XLogP of 21.81, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal is sourced from PubChem (CID 160678050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).