5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol

C10H17F3OS — CID 105104596

IUPAC5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol
SMILESOC(CCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C10H17F3OS/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9,14H,1-7H2
InChIKeyGGRGKAQWVSTKGU-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.22
Rot. Bonds4

About 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol

5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol (PubChem CID 105104596) has the molecular formula C10H17F3OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol
PubChem CID105104596
Molecular FormulaC10H17F3OS
Molecular Weight242.31 g/mol
Exact Mass242.10
IUPAC Name5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol
SMILESOC(CCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C10H17F3OS/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9,14H,1-7H2
InChIKeyGGRGKAQWVSTKGU-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
(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
(2S,3R)-1-(1,3-dithian-2-yl)-2-methylheptan-3-ol
CID 56945475
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-ol
CID 105120557
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-ol
CID 105120652
5,5,5-Trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol
CID 105120679
1-Fluoro-1-(thian-3-yl)propan-2-ol
CID 105437758
1-Fluoro-1-(thian-4-yl)propan-2-ol
CID 105437759
3-Fluoro-4-(thian-3-yl)butan-2-ol
CID 105446587
3-Fluoro-4-(thian-4-yl)butan-2-ol
CID 105446588
2,2-Difluoro-3-(thian-3-yl)propan-1-ol
CID 105450113

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol (CID 105104596) is 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol is OC(CCC(F)(F)F)CC1CCSCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol?
The InChIKey is GGRGKAQWVSTKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3OS/c11-10(12,13)4-1-9(14)7-8-2-5-15-6-3-8/h8-9,14H,1-7H2.
What are the key properties of 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol?
5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol has a molecular weight of 242.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(thian-4-yl)pentan-2-ol is sourced from PubChem (CID 105104596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).