2-[2-(difluoromethylsulfanyl)phenyl]ethanol

C9H10F2OS — CID 117292567

IUPAC2-[2-(difluoromethylsulfanyl)phenyl]ethanol
SMILESOCCc1ccccc1SC(F)F
InChIInChI=1S/C9H10F2OS/c10-9(11)13-8-4-2-1-3-7(8)5-6-12/h1-4,9,12H,5-6H2
InChIKeyDYNVFWRBGDOQDF-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-(difluoromethylsulfanyl)phenyl]ethanol

2-[2-(difluoromethylsulfanyl)phenyl]ethanol (PubChem CID 117292567) has the molecular formula C9H10F2OS and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)phenyl]ethanol
PubChem CID117292567
Molecular FormulaC9H10F2OS
Molecular Weight204.24 g/mol
Exact Mass204.04
IUPAC Name2-[2-(difluoromethylsulfanyl)phenyl]ethanol
SMILESOCCc1ccccc1SC(F)F
InChIInChI=1S/C9H10F2OS/c10-9(11)13-8-4-2-1-3-7(8)5-6-12/h1-4,9,12H,5-6H2
InChIKeyDYNVFWRBGDOQDF-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(phosphanyldisulfanyl)phenyl]ethanol
CID 144842888
O-[[2-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293315
1-[[2-(difluoromethylsulfanyl)phenyl]methyl]cyclopropan-1-ol
CID 117332597
2-[2-(difluoromethoxymethyl)phenyl]ethanol
CID 162613148
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
CID 170908709
2-[2-(butan-2-yldisulfanyl)phenyl]ethanol
CID 118569818
2-[2-(difluoromethylsulfanyl)phenyl]propan-1-ol
CID 117311095
3-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-3-methylbutan-1-ol
CID 129072179
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
2-[2-(2-sulfanylethyl)phenyl]ethanol
CID 140853248
1-[2-(difluoromethylsulfanyl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890916
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)phenyl]ethanol (CID 117292567) is 2-[2-(difluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)phenyl]ethanol is OCCc1ccccc1SC(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is DYNVFWRBGDOQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OS/c10-9(11)13-8-4-2-1-3-7(8)5-6-12/h1-4,9,12H,5-6H2.
What are the key properties of 2-[2-(difluoromethylsulfanyl)phenyl]ethanol?
2-[2-(difluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 204.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 117292567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).