(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine

C10H14F2N2 — CID 171204126

IUPAC(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cccc(F)c1F
InChIInChI=1S/C10H14F2N2/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m1/s1
InChIKeyDANAAWDSXDYBDT-SECBINFHSA-N
MW200.23 g/mol
LogP1.70
Rot. Bonds4

About (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine

(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine (PubChem CID 171204126) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
PubChem CID171204126
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cccc(F)c1F
InChIInChI=1S/C10H14F2N2/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m1/s1
InChIKeyDANAAWDSXDYBDT-SECBINFHSA-N
XLogP1.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
(1S)-1-(3-fluoro-2-methoxyphenyl)butane-1,4-diamine
CID 171221260
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
(1R)-1-(3-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171203806
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine (CID 171204126) is (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine is NCCC[C@@H](N)c1cccc(F)c1F.
What is the InChIKey of (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine?
The InChIKey is DANAAWDSXDYBDT-SECBINFHSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine?
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-difluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 171204126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).