N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline

C14H10ClF4N — CID 81143843

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
SMILESFc1ccc(CNc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C14H10ClF4N/c15-12-6-9(4-5-13(12)16)8-20-11-3-1-2-10(7-11)14(17,18)19/h1-7,20H,8H2
InChIKeyQRYDQDSKIOQUAI-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.11
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline

N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 81143843) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
PubChem CID81143843
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
SMILESFc1ccc(CNc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C14H10ClF4N/c15-12-6-9(4-5-13(12)16)8-20-11-3-1-2-10(7-11)14(17,18)19/h1-7,20H,8H2
InChIKeyQRYDQDSKIOQUAI-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.69
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 81144109
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 29270698
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
3-chloro-4-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350293
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline (CID 81143843) is N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline is Fc1ccc(CNc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is QRYDQDSKIOQUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-12-6-9(4-5-13(12)16)8-20-11-3-1-2-10(7-11)14(17,18)19/h1-7,20H,8H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline?
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 303.69 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 81143843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).