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

C14H9ClF5N — CID 107363910

IUPAC3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)cc(NCc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9ClF5N/c15-9-4-10(16)6-11(5-9)21-7-8-1-2-13(17)12(3-8)14(18,19)20/h1-6,21H,7H2
InChIKeyJVKDMJFITNKLOG-UHFFFAOYSA-N
MW321.68 g/mol
LogP5.25
Rot. Bonds3

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

3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 107363910) has the molecular formula C14H9ClF5N and a molecular weight of 321.68 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID107363910
Molecular FormulaC14H9ClF5N
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC Name3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(Cl)cc(NCc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9ClF5N/c15-9-4-10(16)6-11(5-9)21-7-8-1-2-13(17)12(3-8)14(18,19)20/h1-6,21H,7H2
InChIKeyJVKDMJFITNKLOG-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-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
4-bromo-3-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107619278
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 61229965
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969641
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
4-bromo-N-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43230401
4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63645341
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
CID 107685350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline (CID 107363910) is 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(Cl)cc(NCc2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is JVKDMJFITNKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5N/c15-9-4-10(16)6-11(5-9)21-7-8-1-2-13(17)12(3-8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline?
3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]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 3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 107363910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).