4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine

C12H9F3N2 — CID 141297487

IUPAC4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine
SMILESNc1cc(N)c(F)c(-c2ccccc2F)c1F
InChIInChI=1S/C12H9F3N2/c13-7-4-2-1-3-6(7)10-11(14)8(16)5-9(17)12(10)15/h1-5H,16-17H2
InChIKeyKAFGMSBIVVGXHY-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.94
Rot. Bonds1

About 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine

4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine (PubChem CID 141297487) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine
PubChem CID141297487
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine
SMILESNc1cc(N)c(F)c(-c2ccccc2F)c1F
InChIInChI=1S/C12H9F3N2/c13-7-4-2-1-3-6(7)10-11(14)8(16)5-9(17)12(10)15/h1-5H,16-17H2
InChIKeyKAFGMSBIVVGXHY-UHFFFAOYSA-N
XLogP2.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.94
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

4,4-Diaminodiphenylmethane
CID 7577
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2-Aminobiphenyl
CID 7015
3-Aminobiphenyl
CID 16717
Benzidine dihydrochloride
CID 10754
2,4'-Biphenyldiamine
CID 10292
4'-Fluoro(1,1'-biphenyl)-4-amine
CID 9462
4,4'-Ethylenedianiline
CID 12138
(1,1'-Biphenyl)-4-amine, hydrochloride (1:1)
CID 5284341
3,5-Diaminotoluene
CID 7951
3,4,5-Trifluoro-2'-aminobiphenyl
CID 44249263

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine?
The IUPAC name of 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine (CID 141297487) is 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine.
What is the SMILES notation for 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine?
The canonical SMILES for 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine is Nc1cc(N)c(F)c(-c2ccccc2F)c1F.
What is the InChIKey of 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine?
The InChIKey is KAFGMSBIVVGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-7-4-2-1-3-6(7)10-11(14)8(16)5-9(17)12(10)15/h1-5H,16-17H2.
What are the key properties of 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine?
4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine has a molecular weight of 238.21 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine is sourced from PubChem (CID 141297487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).