3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline

C13H10ClF2N — CID 107615986

IUPAC3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
SMILESCc1ccc(F)c(-c2ccc(N)cc2Cl)c1F
InChIInChI=1S/C13H10ClF2N/c1-7-2-5-11(15)12(13(7)16)9-4-3-8(17)6-10(9)14/h2-6H,17H2,1H3
InChIKeyOJJUWXCRIJJFEP-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.18
Rot. Bonds1

About 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline

3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline (PubChem CID 107615986) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
PubChem CID107615986
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
SMILESCc1ccc(F)c(-c2ccc(N)cc2Cl)c1F
InChIInChI=1S/C13H10ClF2N/c1-7-2-5-11(15)12(13(7)16)9-4-3-8(17)6-10(9)14/h2-6H,17H2,1H3
InChIKeyOJJUWXCRIJJFEP-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

5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82815883
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877
4-(5-bromo-2-fluorophenyl)-3-chloroaniline
CID 107615868
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
3-chloro-4-(2,3,4,6-tetrachlorophenyl)aniline
CID 107616282
4-methyl-3-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197696
ethane;4-fluoro-3-methylaniline
CID 142250330
4-(2,6-difluoro-3-methylphenyl)-3-fluorophenol
CID 83130296
5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
CID 81274932
2-chloro-4-fluoroaniline;3-chloro-4-methylaniline
CID 70284681
4-fluoro-3-methylaniline;molecular hydrogen
CID 145121372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline?
The IUPAC name of 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline (CID 107615986) is 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline.
What is the SMILES notation for 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline?
The canonical SMILES for 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline is Cc1ccc(F)c(-c2ccc(N)cc2Cl)c1F.
What is the InChIKey of 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline?
The InChIKey is OJJUWXCRIJJFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c1-7-2-5-11(15)12(13(7)16)9-4-3-8(17)6-10(9)14/h2-6H,17H2,1H3.
What are the key properties of 3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline?
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline 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-chloro-4-(2,6-difluoro-3-methylphenyl)aniline is sourced from PubChem (CID 107615986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).