N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine

C14H16F3NO — CID 79592096

IUPACN-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
SMILESFC(F)(F)Oc1cccc(C=CCCNC2CC2)c1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)19-13-6-3-5-11(10-13)4-1-2-9-18-12-7-8-12/h1,3-6,10,12,18H,2,7-9H2
InChIKeyAUTSANOZRZEBJT-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine

N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine (PubChem CID 79592096) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
PubChem CID79592096
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
SMILESFC(F)(F)Oc1cccc(C=CCCNC2CC2)c1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)19-13-6-3-5-11(10-13)4-1-2-9-18-12-7-8-12/h1,3-6,10,12,18H,2,7-9H2
InChIKeyAUTSANOZRZEBJT-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine
CID 79598631
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
S-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl] ethanethioate
CID 170480677
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347941
N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
CID 79593449
N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
CID 79592331
N-[(E)-4-(3-chloro-4-methylphenyl)but-3-enyl]cyclopropanamine
CID 107561085
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine (CID 79592096) is N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine is FC(F)(F)Oc1cccc(C=CCCNC2CC2)c1.
What is the InChIKey of N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine?
The InChIKey is AUTSANOZRZEBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)19-13-6-3-5-11(10-13)4-1-2-9-18-12-7-8-12/h1,3-6,10,12,18H,2,7-9H2.
What are the key properties of N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine?
N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine has a molecular weight of 271.28 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine is sourced from PubChem (CID 79592096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).