4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol

C9H15F3OS — CID 105104732

IUPAC4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol
SMILESCC1(C(O)CCC(F)(F)F)CCCS1
InChIInChI=1S/C9H15F3OS/c1-8(4-2-6-14-8)7(13)3-5-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyGSDCNEXCGMGWSB-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.98
Rot. Bonds3

About 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol

4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol (PubChem CID 105104732) has the molecular formula C9H15F3OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol
PubChem CID105104732
Molecular FormulaC9H15F3OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol
SMILESCC1(C(O)CCC(F)(F)F)CCCS1
InChIInChI=1S/C9H15F3OS/c1-8(4-2-6-14-8)7(13)3-5-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyGSDCNEXCGMGWSB-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.98
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
5-Methyl-3-(3,3,3-trifluoropropyl)thiolan-3-ol
CID 79950400
4,4,4-Trifluoro-1-(thiolan-2-yl)butan-1-ol
CID 80621847
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
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-ol
CID 105104715
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-ol
CID 105120652

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol (CID 105104732) is 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol is CC1(C(O)CCC(F)(F)F)CCCS1.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol?
The InChIKey is GSDCNEXCGMGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3OS/c1-8(4-2-6-14-8)7(13)3-5-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 2.98, 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-(2-methylthiolan-2-yl)butan-1-ol is sourced from PubChem (CID 105104732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).