2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline

C14H9Cl2F4N — CID 63422127

IUPAC2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
SMILESFc1cc(CNc2c(Cl)cccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9Cl2F4N/c15-10-5-4-8(6-12(10)17)7-21-13-9(14(18,19)20)2-1-3-11(13)16/h1-6,21H,7H2
InChIKeyRGFMALUEWOMNRV-UHFFFAOYSA-N
MW338.13 g/mol
LogP5.76
Rot. Bonds3

About 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline

2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline (PubChem CID 63422127) has the molecular formula C14H9Cl2F4N and a molecular weight of 338.13 g/mol. Its IUPAC name is 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
PubChem CID63422127
Molecular FormulaC14H9Cl2F4N
Molecular Weight338.13 g/mol
Exact Mass337.00
IUPAC Name2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
SMILESFc1cc(CNc2c(Cl)cccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9Cl2F4N/c15-10-5-4-8(6-12(10)17)7-21-13-9(14(18,19)20)2-1-3-11(13)16/h1-6,21H,7H2
InChIKeyRGFMALUEWOMNRV-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.13
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
N-[(3-bromo-5-fluorophenyl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 79698935
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
CID 28950675
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
2-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(trifluoromethyl)aniline
CID 43645020
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 63487816
4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63645341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline (CID 63422127) is 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline is Fc1cc(CNc2c(Cl)cccc2C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline?
The InChIKey is RGFMALUEWOMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F4N/c15-10-5-4-8(6-12(10)17)7-21-13-9(14(18,19)20)2-1-3-11(13)16/h1-6,21H,7H2.
What are the key properties of 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline?
2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline has a molecular weight of 338.13 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 63422127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).