2-[(2,5-difluorophenyl)methylsulfanyl]ethanol

C9H10F2OS — CID 61035614

IUPAC2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
SMILESOCCSCc1cc(F)ccc1F
InChIInChI=1S/C9H10F2OS/c10-8-1-2-9(11)7(5-8)6-13-4-3-12/h1-2,5,12H,3-4,6H2
InChIKeyBTSJTMIHEZNJAG-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.19
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol

2-[(2,5-difluorophenyl)methylsulfanyl]ethanol (PubChem CID 61035614) has the molecular formula C9H10F2OS and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
PubChem CID61035614
Molecular FormulaC9H10F2OS
Molecular Weight204.24 g/mol
Exact Mass204.04
IUPAC Name2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
SMILESOCCSCc1cc(F)ccc1F
InChIInChI=1S/C9H10F2OS/c10-8-1-2-9(11)7(5-8)6-13-4-3-12/h1-2,5,12H,3-4,6H2
InChIKeyBTSJTMIHEZNJAG-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-4-fluorophenyl)methylsulfanyl]ethanol
CID 64770405
2-[(3-fluorophenyl)methylsulfanyl]ethanol
CID 12779321
5-fluoro-2-(3-hydroxypropylsulfanylmethyl)benzonitrile
CID 66128937
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol
CID 110923614
2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
CID 107524370
2-[(3-bromo-4-fluorophenyl)methylsulfanyl]ethanol
CID 43502496
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]ethanamine
CID 105371908
(2-fluoro-5-methylphenyl)methylsulfanylmethanol
CID 174380903
3-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371932
3-[(5-chloro-2-fluorophenyl)methylsulfanyl]propan-1-amine
CID 103046809
2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79444671
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol (CID 61035614) is 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol is OCCSCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol?
The InChIKey is BTSJTMIHEZNJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OS/c10-8-1-2-9(11)7(5-8)6-13-4-3-12/h1-2,5,12H,3-4,6H2.
What are the key properties of 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol?
2-[(2,5-difluorophenyl)methylsulfanyl]ethanol has a molecular weight of 204.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylsulfanyl]ethanol is sourced from PubChem (CID 61035614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).