2-(4,4-difluorothiolan-3-yl)ethanol

C6H10F2OS — CID 105433783

IUPAC2-(4,4-difluorothiolan-3-yl)ethanol
SMILESOCCC1CSCC1(F)F
InChIInChI=1S/C6H10F2OS/c7-6(8)4-10-3-5(6)1-2-9/h5,9H,1-4H2
InChIKeyZPFABRJURONUAB-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.37
Rot. Bonds2

About 2-(4,4-difluorothiolan-3-yl)ethanol

2-(4,4-difluorothiolan-3-yl)ethanol (PubChem CID 105433783) has the molecular formula C6H10F2OS and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-(4,4-difluorothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-difluorothiolan-3-yl)ethanol
PubChem CID105433783
Molecular FormulaC6H10F2OS
Molecular Weight168.21 g/mol
Exact Mass168.04
IUPAC Name2-(4,4-difluorothiolan-3-yl)ethanol
SMILESOCCC1CSCC1(F)F
InChIInChI=1S/C6H10F2OS/c7-6(8)4-10-3-5(6)1-2-9/h5,9H,1-4H2
InChIKeyZPFABRJURONUAB-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Trifluoromethyl)thiolan-2-yl]methanol
CID 165646484
3-(Trifluoromethyl)tetrahydro-2 H-thiopyran-2-ol
CID 162787536
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
CID 89078257
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
CID 89109116
2-Ethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 91260628
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
CID 118119109
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
[(2S)-4,4-difluorothiolan-2-yl]methanol
CID 146516500
(3-Fluoro-4-methylthiolan-2-yl)methanol
CID 155214624
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
(4,4,5,5-Tetrafluoro-tetrahydro-thiophen-2-yl)-methanol
CID 23233775

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorothiolan-3-yl)ethanol?
The IUPAC name of 2-(4,4-difluorothiolan-3-yl)ethanol (CID 105433783) is 2-(4,4-difluorothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(4,4-difluorothiolan-3-yl)ethanol?
The canonical SMILES for 2-(4,4-difluorothiolan-3-yl)ethanol is OCCC1CSCC1(F)F.
What is the InChIKey of 2-(4,4-difluorothiolan-3-yl)ethanol?
The InChIKey is ZPFABRJURONUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2OS/c7-6(8)4-10-3-5(6)1-2-9/h5,9H,1-4H2.
What are the key properties of 2-(4,4-difluorothiolan-3-yl)ethanol?
2-(4,4-difluorothiolan-3-yl)ethanol has a molecular weight of 168.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorothiolan-3-yl)ethanol is sourced from PubChem (CID 105433783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).