3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline

C14H12ClF2N — CID 116788755

IUPAC3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
SMILESFC(F)(CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H12ClF2N/c15-12-7-4-8-13(9-12)18-10-14(16,17)11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyOSMMFLSUEYNVAH-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.54
Rot. Bonds4

About 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline

3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline (PubChem CID 116788755) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
PubChem CID116788755
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
SMILESFC(F)(CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H12ClF2N/c15-12-7-4-8-13(9-12)18-10-14(16,17)11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKeyOSMMFLSUEYNVAH-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
4-bromo-2-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788818
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
CID 116788722
1-(3,5-dichloroanilino)-2-phenylpropan-2-ol
CID 62373813
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
N-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 141336547
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
CID 107611463
N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54806317
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline?
The IUPAC name of 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline (CID 116788755) is 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline.
What is the SMILES notation for 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline?
The canonical SMILES for 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline is FC(F)(CNc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline?
The InChIKey is OSMMFLSUEYNVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c15-12-7-4-8-13(9-12)18-10-14(16,17)11-5-2-1-3-6-11/h1-9,18H,10H2.
What are the key properties of 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline?
3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline has a molecular weight of 267.71 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline is sourced from PubChem (CID 116788755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).