2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine

C13H11ClF2N2 — CID 82815883

IUPAC2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)cc2Cl)c1F
InChIInChI=1S/C13H11ClF2N2/c1-7-2-4-10(15)13(12(7)16)18-11-5-3-8(17)6-9(11)14/h2-6,18H,17H2,1H3
InChIKeyCIPKEJPPMHSKKE-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.25
Rot. Bonds2

About 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine

2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine (PubChem CID 82815883) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
PubChem CID82815883
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)cc2Cl)c1F
InChIInChI=1S/C13H11ClF2N2/c1-7-2-4-10(15)13(12(7)16)18-11-5-3-8(17)6-9(11)14/h2-6,18H,17H2,1H3
InChIKeyCIPKEJPPMHSKKE-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2,6-difluoro-3-methylanilino)benzonitrile
CID 82815807
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
1-N-(4-bromo-2,6-difluorophenyl)-2-chlorobenzene-1,4-diamine
CID 65468110
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986
4-methyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 62590138
3-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 107571479
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
5-N-(2,6-difluoro-3-methylphenyl)pyridine-3,5-diamine
CID 104535596
3-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 113424874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine (CID 82815883) is 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine is Cc1ccc(F)c(Nc2ccc(N)cc2Cl)c1F.
What is the InChIKey of 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
The InChIKey is CIPKEJPPMHSKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-7-2-4-10(15)13(12(7)16)18-11-5-3-8(17)6-9(11)14/h2-6,18H,17H2,1H3.
What are the key properties of 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine?
2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine has a molecular weight of 268.69 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 82815883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).