2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine

C14H13F3N2 — CID 63735827

IUPAC2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N)cc2C(F)F)ccc1F
InChIInChI=1S/C14H13F3N2/c1-8-6-10(3-4-12(8)15)19-13-5-2-9(18)7-11(13)14(16)17/h2-7,14,19H,18H2,1H3
InChIKeyYRJACJQHNZQTNS-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.40
Rot. Bonds3

About 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine (PubChem CID 63735827) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
PubChem CID63735827
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N)cc2C(F)F)ccc1F
InChIInChI=1S/C14H13F3N2/c1-8-6-10(3-4-12(8)15)19-13-5-2-9(18)7-11(13)14(16)17/h2-7,14,19H,18H2,1H3
InChIKeyYRJACJQHNZQTNS-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.40
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

1-N-(3-chloro-4-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 63750431
1-N-(4-bromo-3-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65437443
2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
CID 55231380
1-N-(3-bromo-5-methylphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 107581784
2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
CID 63748294
1-N-(4-bromo-3-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 82858182
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 107596454
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
1-N-(4-fluoro-3-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 114837165
1-N-(5-chloro-2-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 63750079
3-[4-amino-2-(difluoromethyl)anilino]-4-methylbenzonitrile
CID 63734977

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine (CID 63735827) is 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine is Cc1cc(Nc2ccc(N)cc2C(F)F)ccc1F.
What is the InChIKey of 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine?
The InChIKey is YRJACJQHNZQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-8-6-10(3-4-12(8)15)19-13-5-2-9(18)7-11(13)14(16)17/h2-7,14,19H,18H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine has a molecular weight of 266.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 63735827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).