4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol

C8H13F3OS — CID 105104715

IUPAC4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H13F3OS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h6-7,12H,1-5H2
InChIKeyLERGMIFNYKACRN-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.44
Rot. Bonds3

About 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol

4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol (PubChem CID 105104715) has the molecular formula C8H13F3OS and a molecular weight of 214.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol
PubChem CID105104715
Molecular FormulaC8H13F3OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C8H13F3OS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h6-7,12H,1-5H2
InChIKeyLERGMIFNYKACRN-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(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
4-Ethyl-1,1,1-trifluoro-5-methylsulfanylhexan-2-ol
CID 129154393
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
3-(Cyclopentylmethylsulfanyl)-1,1,1-trifluoropropan-2-ol
CID 63900225
4-(2,2-Difluoroethyl)thiolan-3-ol
CID 83190726
4-(2,2,2-Trifluoroethyl)thiolan-3-ol
CID 83190934
4-(3-Fluoropropyl)thiolan-3-ol
CID 83191342
4-(3,3,3-Trifluoropropyl)thiolan-3-ol
CID 83191451
4-(4,4,4-Trifluorobutyl)thiolan-3-ol
CID 83191539
4-(3,3,3-Trifluoro-2-hydroxypropyl)thiolan-3-ol
CID 83191548

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol (CID 105104715) is 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol is OC(CCC(F)(F)F)C1CCSC1.
What is the InChIKey of 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol?
The InChIKey is LERGMIFNYKACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OS/c9-8(10,11)3-1-7(12)6-2-4-13-5-6/h6-7,12H,1-5H2.
What are the key properties of 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol?
4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol has a molecular weight of 214.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(thiolan-3-yl)butan-1-ol is sourced from PubChem (CID 105104715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).