1,1-difluoro-1-(thiolan-3-yl)propan-2-ol

C7H12F2OS — CID 105440138

IUPAC1,1-difluoro-1-(thiolan-3-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCSC1
InChIInChI=1S/C7H12F2OS/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6,10H,2-4H2,1H3
InChIKeySRGBLYJXUQKWLU-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.76
Rot. Bonds2

About 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol

1,1-difluoro-1-(thiolan-3-yl)propan-2-ol (PubChem CID 105440138) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(thiolan-3-yl)propan-2-ol
PubChem CID105440138
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name1,1-difluoro-1-(thiolan-3-yl)propan-2-ol
SMILESCC(O)C(F)(F)C1CCSC1
InChIInChI=1S/C7H12F2OS/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6,10H,2-4H2,1H3
InChIKeySRGBLYJXUQKWLU-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Trifluoromethyl)thiolan-2-yl]methanol
CID 165646484
(2R,3R)-2-propan-2-ylthiolan-3-ol
CID 10057633
(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethylthiolan-3-ol
CID 59796262
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(2S,3S,5S)-5-(hydroxymethyl)-2-methyl-3-(trifluoromethyl)thiolan-3-ol
CID 70896962
4-Fluoro-2-(hydroxymethyl)-4,5-dimethylthiolan-3-ol
CID 72564273
[(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
(4-Fluoro-4,5-dimethylthiolan-2-yl)methanol
CID 90982455
(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
(4S)-4-ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129153599

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol (CID 105440138) is 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol is CC(O)C(F)(F)C1CCSC1.
What is the InChIKey of 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol?
The InChIKey is SRGBLYJXUQKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OS/c1-5(10)7(8,9)6-2-3-11-4-6/h5-6,10H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol?
1,1-difluoro-1-(thiolan-3-yl)propan-2-ol has a molecular weight of 182.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(thiolan-3-yl)propan-2-ol is sourced from PubChem (CID 105440138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).