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

C14H12F3N — CID 62121783

IUPAC2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
SMILESCc1cc(CNc2c(F)cccc2F)ccc1F
InChIInChI=1S/C14H12F3N/c1-9-7-10(5-6-11(9)15)8-18-14-12(16)3-2-4-13(14)17/h2-7,18H,8H2,1H3
InChIKeySFYAXZWBAVAZQV-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.02
Rot. Bonds3

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

2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline (PubChem CID 62121783) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
PubChem CID62121783
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
SMILESCc1cc(CNc2c(F)cccc2F)ccc1F
InChIInChI=1S/C14H12F3N/c1-9-7-10(5-6-11(9)15)8-18-14-12(16)3-2-4-13(14)17/h2-7,18H,8H2,1H3
InChIKeySFYAXZWBAVAZQV-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-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466922
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879011

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline (CID 62121783) is 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline is Cc1cc(CNc2c(F)cccc2F)ccc1F.
What is the InChIKey of 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
The InChIKey is SFYAXZWBAVAZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-7-10(5-6-11(9)15)8-18-14-12(16)3-2-4-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
2,6-difluoro-N-[(4-fluoro-3-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-[(4-fluoro-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 62121783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).