2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine

C11H11ClF3N — CID 60702124

IUPAC2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3N/c1-8(12)6-16-7-9-2-4-10(5-3-9)11(13,14)15/h2-5,16H,1,6-7H2
InChIKeyPBHGFDNVTHSBDS-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine

2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine (PubChem CID 60702124) has the molecular formula C11H11ClF3N and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
PubChem CID60702124
Molecular FormulaC11H11ClF3N
Molecular Weight249.66 g/mol
Exact Mass249.05
IUPAC Name2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3N/c1-8(12)6-16-7-9-2-4-10(5-3-9)11(13,14)15/h2-5,16H,1,6-7H2
InChIKeyPBHGFDNVTHSBDS-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
4-[(2-chloroprop-2-enylamino)methyl]-N,N-dimethylaniline
CID 115574896
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60702100
N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 162538544
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
2-chloro-N-[(4-chloro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 103991295
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine (CID 60702124) is 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine is C=C(Cl)CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
The InChIKey is PBHGFDNVTHSBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N/c1-8(12)6-16-7-9-2-4-10(5-3-9)11(13,14)15/h2-5,16H,1,6-7H2.
What are the key properties of 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine has a molecular weight of 249.66 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 60702124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).