2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

C14H12F3N — CID 63644666

IUPAC2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)cccc2F)cc1F
InChIInChI=1S/C14H12F3N/c1-9-5-6-10(7-13(9)17)8-18-14-11(15)3-2-4-12(14)16/h2-7,18H,8H2,1H3
InChIKeyDQIJVDXTVJCFRE-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.02
Rot. Bonds3

About 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 63644666) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID63644666
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)cccc2F)cc1F
InChIInChI=1S/C14H12F3N/c1-9-5-6-10(7-13(9)17)8-18-14-11(15)3-2-4-12(14)16/h2-7,18H,8H2,1H3
InChIKeyDQIJVDXTVJCFRE-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879011
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 63644666) is 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is Cc1ccc(CNc2c(F)cccc2F)cc1F.
What is the InChIKey of 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is DQIJVDXTVJCFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-5-6-10(7-13(9)17)8-18-14-11(15)3-2-4-12(14)16/h2-7,18H,8H2,1H3.
What are the key properties of 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline has a molecular weight of 251.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 63644666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).