2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol

C9H11F2NOS — CID 117312254

IUPAC2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
SMILESCSc1cc(F)c(C(O)CN)cc1F
InChIInChI=1S/C9H11F2NOS/c1-14-9-3-6(10)5(2-7(9)11)8(13)4-12/h2-3,8,13H,4,12H2,1H3
InChIKeyLZISQJRIQUMJTM-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol

2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol (PubChem CID 117312254) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
PubChem CID117312254
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
SMILESCSc1cc(F)c(C(O)CN)cc1F
InChIInChI=1S/C9H11F2NOS/c1-14-9-3-6(10)5(2-7(9)11)8(13)4-12/h2-3,8,13H,4,12H2,1H3
InChIKeyLZISQJRIQUMJTM-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol
CID 117290140
2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
CID 84782931
(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117306899
3-cyclopropyl-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117433647
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol (CID 117312254) is 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol is CSc1cc(F)c(C(O)CN)cc1F.
What is the InChIKey of 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol?
The InChIKey is LZISQJRIQUMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-14-9-3-6(10)5(2-7(9)11)8(13)4-12/h2-3,8,13H,4,12H2,1H3.
What are the key properties of 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol?
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol has a molecular weight of 219.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117312254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).