2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine

C13H10F4N2 — CID 63748294

IUPAC2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(F)cccc2F)c(C(F)F)c1
InChIInChI=1S/C13H10F4N2/c14-9-2-1-3-10(15)12(9)19-11-5-4-7(18)6-8(11)13(16)17/h1-6,13,19H,18H2
InChIKeyAETWUMQIFXZFTK-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.23
Rot. Bonds3

About 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine (PubChem CID 63748294) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
PubChem CID63748294
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(F)cccc2F)c(C(F)F)c1
InChIInChI=1S/C13H10F4N2/c14-9-2-1-3-10(15)12(9)19-11-5-4-7(18)6-8(11)13(16)17/h1-6,13,19H,18H2
InChIKeyAETWUMQIFXZFTK-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.23
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

Dibenz(b,f)azepine
CID 9212
N-(3-Methylphenyl)aniline
CID 14569
3-(Trifluoromethyl)-N-phenylaniline
CID 7548
N1-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548
N-benzyl-4-fluoroaniline
CID 913402
4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 345432
1,4-Benzenediamine, N-(2-methylphenyl)-N'-phenyl-
CID 3015360
6-[3-(trifluoromethyl)anilino]-3,4-dihydro-1H-quinoline-2-thione
CID 86342397
[4-[3-(Trifluoromethyl)anilino]phenyl]urea
CID 90643997
1,3-Bis[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 140307285
2,2'-Diethyldiphenylamine
CID 116649

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine (CID 63748294) is 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine is Nc1ccc(Nc2c(F)cccc2F)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine?
The InChIKey is AETWUMQIFXZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c14-9-2-1-3-10(15)12(9)19-11-5-4-7(18)6-8(11)13(16)17/h1-6,13,19H,18H2.
What are the key properties of 2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine has a molecular weight of 270.23 g/mol, XLogP of 4.23, 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-(2,6-difluorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 63748294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).