1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol

C10H14FNO2S — CID 63931345

IUPAC1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
SMILESCOCC(O)CSc1ccc(N)cc1F
InChIInChI=1S/C10H14FNO2S/c1-14-5-8(13)6-15-10-3-2-7(12)4-9(10)11/h2-4,8,13H,5-6,12H2,1H3
InChIKeyLQMREMODADIOLH-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol

1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol (PubChem CID 63931345) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
PubChem CID63931345
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
SMILESCOCC(O)CSc1ccc(N)cc1F
InChIInChI=1S/C10H14FNO2S/c1-14-5-8(13)6-15-10-3-2-7(12)4-9(10)11/h2-4,8,13H,5-6,12H2,1H3
InChIKeyLQMREMODADIOLH-UHFFFAOYSA-N
XLogP1.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(methoxymethylsulfanyl)aniline
CID 65364452
1-(2-amino-4-chlorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63930928
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724
1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
CID 63931140
4-(2-aminoethylsulfanyl)-3-fluoroaniline
CID 61320399
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
CID 43303372
1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992357
3-fluoro-4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033986
3-fluoro-4-(3-methylbutylsulfanyl)aniline
CID 43303733
1-(2,5-difluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992404

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol (CID 63931345) is 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol is COCC(O)CSc1ccc(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol?
The InChIKey is LQMREMODADIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-14-5-8(13)6-15-10-3-2-7(12)4-9(10)11/h2-4,8,13H,5-6,12H2,1H3.
What are the key properties of 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol?
1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol has a molecular weight of 231.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol is sourced from PubChem (CID 63931345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).