1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine

C12H9F3N2 — CID 29067140

IUPAC1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C12H9F3N2/c13-9-3-2-8(6-10(9)14)17-12-4-1-7(16)5-11(12)15/h1-6,17H,16H2
InChIKeyMFWMGIOAVKIVFT-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.43
Rot. Bonds2

About 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine

1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 29067140) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID29067140
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C12H9F3N2/c13-9-3-2-8(6-10(9)14)17-12-4-1-7(16)5-11(12)15/h1-6,17H,16H2
InChIKeyMFWMGIOAVKIVFT-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.43
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-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376263
3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
1-N-(4-bromo-3-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65437443
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562
4-N-(3,4-difluorophenyl)-2-phenylquinoline-4,6-diamine
CID 22417877
2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
CID 106889883
1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 65467733

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine (CID 29067140) is 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is MFWMGIOAVKIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-9-3-2-8(6-10(9)14)17-12-4-1-7(16)5-11(12)15/h1-6,17H,16H2.
What are the key properties of 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine?
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 238.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 29067140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).