4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine

C13H11F3N2 — CID 115123866

IUPAC4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(NCc2cc(F)ccc2F)cc1F
InChIInChI=1S/C13H11F3N2/c14-9-1-3-11(15)8(5-9)7-18-10-2-4-13(17)12(16)6-10/h1-6,18H,7,17H2
InChIKeyBEGUTPUKFPJULE-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.30
Rot. Bonds3

About 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine

4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine (PubChem CID 115123866) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
PubChem CID115123866
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(NCc2cc(F)ccc2F)cc1F
InChIInChI=1S/C13H11F3N2/c14-9-1-3-11(15)8(5-9)7-18-10-2-4-13(17)12(16)6-10/h1-6,18H,7,17H2
InChIKeyBEGUTPUKFPJULE-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.30
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

2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
1-[2-amino-4-[(2,5-difluorophenyl)methylamino]phenyl]ethanone
CID 104528863
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 43312702
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 112740496
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
4-bromo-N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43680371

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine?
The IUPAC name of 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine (CID 115123866) is 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine is Nc1ccc(NCc2cc(F)ccc2F)cc1F.
What is the InChIKey of 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine?
The InChIKey is BEGUTPUKFPJULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-9-1-3-11(15)8(5-9)7-18-10-2-4-13(17)12(16)6-10/h1-6,18H,7,17H2.
What are the key properties of 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine?
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine has a molecular weight of 252.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 115123866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).