3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine

C15H16F2N2 — CID 55086406

IUPAC3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCC(C)c1ccccc1Nc1c(N)ccc(F)c1F
InChIInChI=1S/C15H16F2N2/c1-9(2)10-5-3-4-6-13(10)19-15-12(18)8-7-11(16)14(15)17/h3-9,19H,18H2,1-2H3
InChIKeyGGCRUDQEVDSQLP-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.41
Rot. Bonds3

About 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine

3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine (PubChem CID 55086406) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
PubChem CID55086406
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCC(C)c1ccccc1Nc1c(N)ccc(F)c1F
InChIInChI=1S/C15H16F2N2/c1-9(2)10-5-3-4-6-13(10)19-15-12(18)8-7-11(16)14(15)17/h3-9,19H,18H2,1-2H3
InChIKeyGGCRUDQEVDSQLP-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.41
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-(4-methylphenyl)benzene-1,2-diamine
CID 2331656
N1-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
6-(3,5-Difluorophenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10613134
1-{4'-Fluoro-[1,1'-biphenyl]-2-yl}piperazine
CID 23133427
2,2'-Diethyldiphenylamine
CID 116649
2-Methyl-N-phenylaniline
CID 10986946
N1-(2-Phenylethyl)benzene-1,2-diamine
CID 2317489
N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 3729761
4-(1-Methylethyl)-N-phenylbenzenamine
CID 21861
N~1~-(4-Methylphenyl)benzene-1,2-diamine--hydrogen chloride (1/1)
CID 14020596
N-(3,5-difluorophenyl)-2,4,6-trimethylaniline
CID 127043560
N-(3,4-difluorophenyl)-2,4,6-trimethylaniline
CID 127044218

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine (CID 55086406) is 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine is CC(C)c1ccccc1Nc1c(N)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine?
The InChIKey is GGCRUDQEVDSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-9(2)10-5-3-4-6-13(10)19-15-12(18)8-7-11(16)14(15)17/h3-9,19H,18H2,1-2H3.
What are the key properties of 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine?
3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 55086406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).