2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine

C13H11F3N2 — CID 112740496

IUPAC2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCc1cc(F)ccc1F
InChIInChI=1S/C13H11F3N2/c14-9-4-5-10(15)8(6-9)7-18-13-11(16)2-1-3-12(13)17/h1-6,18H,7,17H2
InChIKeyRUXKJZIDCCVFIW-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.30
Rot. Bonds3

About 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine

2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine (PubChem CID 112740496) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
PubChem CID112740496
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCc1cc(F)ccc1F
InChIInChI=1S/C13H11F3N2/c14-9-4-5-10(15)8(6-9)7-18-13-11(16)2-1-3-12(13)17/h1-6,18H,7,17H2
InChIKeyRUXKJZIDCCVFIW-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-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125843
N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
CID 103963319
2-N-[2-(2,5-difluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115126121
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
CID 102616009
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-amino-3-[(2,5-difluorophenyl)methylamino]benzenesulfonamide
CID 115992748
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine (CID 112740496) is 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine is Nc1cccc(F)c1NCc1cc(F)ccc1F.
What is the InChIKey of 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine?
The InChIKey is RUXKJZIDCCVFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-9-4-5-10(15)8(6-9)7-18-13-11(16)2-1-3-12(13)17/h1-6,18H,7,17H2.
What are the key properties of 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine?
2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-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 2-N-[(2,5-difluorophenyl)methyl]-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 112740496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).