2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline

C14H9ClF5N — CID 43312527

IUPAC2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFc1ccc(F)c(CNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H9ClF5N/c15-11-3-1-9(14(18,19)20)6-13(11)21-7-8-5-10(16)2-4-12(8)17/h1-6,21H,7H2
InChIKeyGKVZGAVRBHJNOW-UHFFFAOYSA-N
MW321.68 g/mol
LogP5.25
Rot. Bonds3

About 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline

2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 43312527) has the molecular formula C14H9ClF5N and a molecular weight of 321.68 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID43312527
Molecular FormulaC14H9ClF5N
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC Name2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
SMILESFc1ccc(F)c(CNc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H9ClF5N/c15-11-3-1-9(14(18,19)20)6-13(11)21-7-8-5-10(16)2-4-12(8)17/h1-6,21H,7H2
InChIKeyGKVZGAVRBHJNOW-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.68
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28545060
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
2-chloro-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)aniline
CID 29285978
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 63417776
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
methyl 4-chloro-3-[(2,5-difluorophenyl)methylamino]benzoate
CID 43714708
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107694477
2-bromo-N-[(2,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511648
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline (CID 43312527) is 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline is Fc1ccc(F)c(CNc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is GKVZGAVRBHJNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5N/c15-11-3-1-9(14(18,19)20)6-13(11)21-7-8-5-10(16)2-4-12(8)17/h1-6,21H,7H2.
What are the key properties of 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline?
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 321.68 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43312527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).