N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline

C13H9ClF3N — CID 112651786

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
SMILESFc1ccc(NCc2cccc(F)c2Cl)cc1F
InChIInChI=1S/C13H9ClF3N/c14-13-8(2-1-3-11(13)16)7-18-9-4-5-10(15)12(17)6-9/h1-6,18H,7H2
InChIKeyDXKTUKIYDRNJOK-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.37
Rot. Bonds3

About N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline

N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline (PubChem CID 112651786) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
PubChem CID112651786
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
SMILESFc1ccc(NCc2cccc(F)c2Cl)cc1F
InChIInChI=1S/C13H9ClF3N/c14-13-8(2-1-3-11(13)16)7-18-9-4-5-10(15)12(17)6-9/h1-6,18H,7H2
InChIKeyDXKTUKIYDRNJOK-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
2,4,6-trichloro-N-[(2-chloro-3-fluorophenyl)methyl]aniline
CID 112651817
N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
CID 112651771
N-[(2-chloro-3-fluorophenyl)methyl]thiophen-3-amine
CID 112652146
N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
CID 112651757
N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 114487520
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
CID 112652175
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
CID 112652223
3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
CID 112652219
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline (CID 112651786) is N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline is Fc1ccc(NCc2cccc(F)c2Cl)cc1F.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline?
The InChIKey is DXKTUKIYDRNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-13-8(2-1-3-11(13)16)7-18-9-4-5-10(15)12(17)6-9/h1-6,18H,7H2.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline?
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline has a molecular weight of 271.67 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline is sourced from PubChem (CID 112651786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).