3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline

C14H10ClF4N — CID 116699138

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFc1ccc(CNc2cc(Cl)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10ClF4N/c15-11-5-10(14(17,18)19)6-13(7-11)20-8-9-1-3-12(16)4-2-9/h1-7,20H,8H2
InChIKeyDPXZWPVYKINKSM-UHFFFAOYSA-N
MW303.69 g/mol
LogP5.11
Rot. Bonds3

About 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline

3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 116699138) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID116699138
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFc1ccc(CNc2cc(Cl)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H10ClF4N/c15-11-5-10(14(17,18)19)6-13(7-11)20-8-9-1-3-12(16)4-2-9/h1-7,20H,8H2
InChIKeyDPXZWPVYKINKSM-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

4-[[3-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
CID 116699139
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-5-(trifluoromethyl)aniline
CID 116698872
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363910
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 102881103
5-[[3-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 116699158
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 104921789
3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
CID 116699570
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline (CID 116699138) is 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline is Fc1ccc(CNc2cc(Cl)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is DPXZWPVYKINKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-11-5-10(14(17,18)19)6-13(7-11)20-8-9-1-3-12(16)4-2-9/h1-7,20H,8H2.
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline?
3-chloro-N-[(4-fluorophenyl)methyl]-5-(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 3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116699138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).