3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline

C13H10ClF2N — CID 165449932

IUPAC3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
SMILESCc1ccc(Cl)cc1-c1ccc(F)c(N)c1F
InChIInChI=1S/C13H10ClF2N/c1-7-2-3-8(14)6-10(7)9-4-5-11(15)13(17)12(9)16/h2-6H,17H2,1H3
InChIKeyKVVUSOASZNVBBC-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.18
Rot. Bonds1

About 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline

3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline (PubChem CID 165449932) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
PubChem CID165449932
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
SMILESCc1ccc(Cl)cc1-c1ccc(F)c(N)c1F
InChIInChI=1S/C13H10ClF2N/c1-7-2-3-8(14)6-10(7)9-4-5-11(15)13(17)12(9)16/h2-6H,17H2,1H3
InChIKeyKVVUSOASZNVBBC-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
3-(3-chlorophenyl)-2,6-difluoroaniline
CID 165455763
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 134441971
6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 82556214
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986
5-chloro-2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388389
4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
CID 171916633
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
CID 146211188

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline (CID 165449932) is 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline is Cc1ccc(Cl)cc1-c1ccc(F)c(N)c1F.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline?
The InChIKey is KVVUSOASZNVBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c1-7-2-3-8(14)6-10(7)9-4-5-11(15)13(17)12(9)16/h2-6H,17H2,1H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline?
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline has a molecular weight of 253.68 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline is sourced from PubChem (CID 165449932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).