4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol

C9H10F3NO — CID 131499575

IUPAC4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
SMILESN[C@@H](CC(F)F)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10F3NO/c10-6-3-5(1-2-8(6)14)7(13)4-9(11)12/h1-3,7,9,14H,4,13H2/t7-/m0/s1
InChIKeyLAGWQVDQFJTPFK-ZETCQYMHSA-N
MW205.18 g/mol
LogP2.19
Rot. Bonds3

About 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol

4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol (PubChem CID 131499575) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
PubChem CID131499575
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
SMILESN[C@@H](CC(F)F)c1ccc(O)c(F)c1
InChIInChI=1S/C9H10F3NO/c10-6-3-5(1-2-8(6)14)7(13)4-9(11)12/h1-3,7,9,14H,4,13H2/t7-/m0/s1
InChIKeyLAGWQVDQFJTPFK-ZETCQYMHSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol 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

4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
CID 171312952
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-fluorophenol;hydrochloride
CID 171198768
4-[(1S)-1-amino-3,3-difluoropropyl]-2-nitrophenol;hydrochloride
CID 171312862
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol?
The IUPAC name of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol (CID 131499575) is 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol?
The canonical SMILES for 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol is N[C@@H](CC(F)F)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol?
The InChIKey is LAGWQVDQFJTPFK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-6-3-5(1-2-8(6)14)7(13)4-9(11)12/h1-3,7,9,14H,4,13H2/t7-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol?
4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol has a molecular weight of 205.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol is sourced from PubChem (CID 131499575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).