4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol

C10H14FNOS — CID 145467283

IUPAC4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol
SMILESCO[C@H](c1ccc(S)cc1)[C@H](N)CF
InChIInChI=1S/C10H14FNOS/c1-13-10(9(12)6-11)7-2-4-8(14)5-3-7/h2-5,9-10,14H,6,12H2,1H3/t9-,10-/m1/s1
InChIKeyAFCWPXWYBDERLN-NXEZZACHSA-N
MW215.29 g/mol
LogP1.96
Rot. Bonds4

About 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol (PubChem CID 145467283) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol
PubChem CID145467283
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol
SMILESCO[C@H](c1ccc(S)cc1)[C@H](N)CF
InChIInChI=1S/C10H14FNOS/c1-13-10(9(12)6-11)7-2-4-8(14)5-3-7/h2-5,9-10,14H,6,12H2,1H3/t9-,10-/m1/s1
InChIKeyAFCWPXWYBDERLN-NXEZZACHSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol 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-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine
CID 134395722
5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
CID 75104520
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
CID 134395435
3-fluoro-1-[4-(3-fluoroazetidin-1-yl)phenyl]-1-methoxypropan-2-amine
CID 145467339
N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
CID 90088134
3-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 145467661
3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 142457120
N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine
CID 145467624
3-fluoro-1-methoxy-1-[4-(1-oxothiolan-3-yl)phenyl]propan-2-amine
CID 142457154
[(5S)-3-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 145468052
3-fluoro-1-methoxy-1-[4-[5-(methoxymethyl)-1,2-oxazolidin-3-yl]phenyl]propan-2-amine
CID 145467508

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol?
The IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol (CID 145467283) is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol.
What is the SMILES notation for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol?
The canonical SMILES for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol is CO[C@H](c1ccc(S)cc1)[C@H](N)CF.
What is the InChIKey of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol?
The InChIKey is AFCWPXWYBDERLN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-13-10(9(12)6-11)7-2-4-8(14)5-3-7/h2-5,9-10,14H,6,12H2,1H3/t9-,10-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol?
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol has a molecular weight of 215.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol is sourced from PubChem (CID 145467283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).