4,5-bis(4-fluorophenyl)benzene-1,2-diamine

C18H14F2N2 — CID 135324537

IUPAC4,5-bis(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C18H14F2N2/c19-13-5-1-11(2-6-13)15-9-17(21)18(22)10-16(15)12-3-7-14(20)8-4-12/h1-10H,21-22H2
InChIKeyGSLFCXQTFKHRGW-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.46
Rot. Bonds2

About 4,5-bis(4-fluorophenyl)benzene-1,2-diamine

4,5-bis(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 135324537) has the molecular formula C18H14F2N2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)benzene-1,2-diamine
PubChem CID135324537
Molecular FormulaC18H14F2N2
Molecular Weight296.32 g/mol
Exact Mass296.11
IUPAC Name4,5-bis(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C18H14F2N2/c19-13-5-1-11(2-6-13)15-9-17(21)18(22)10-16(15)12-3-7-14(20)8-4-12/h1-10H,21-22H2
InChIKeyGSLFCXQTFKHRGW-UHFFFAOYSA-N
XLogP4.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.46
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-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
3-(4-fluorophenyl)-4-(4-methylphenyl)aniline
CID 157225237
5-(4-fluorophenyl)naphthalen-1-amine
CID 172677714
2-(4-fluorophenyl)-5-methylsulfonylaniline
CID 175686631
5-amino-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 82282728
4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 166464293
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
4-(4-fluorophenyl)pyridin-3-amine
CID 82405156
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4,5-bis(4-fluorophenyl)benzene-1,2-diamine (CID 135324537) is 4,5-bis(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-bis(4-fluorophenyl)benzene-1,2-diamine is Nc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)cc1N.
What is the InChIKey of 4,5-bis(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is GSLFCXQTFKHRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2/c19-13-5-1-11(2-6-13)15-9-17(21)18(22)10-16(15)12-3-7-14(20)8-4-12/h1-10H,21-22H2.
What are the key properties of 4,5-bis(4-fluorophenyl)benzene-1,2-diamine?
4,5-bis(4-fluorophenyl)benzene-1,2-diamine has a molecular weight of 296.32 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 135324537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).