3-fluoro-4-(thian-3-yl)butan-2-ol

C9H17FOS — CID 105446587

IUPAC3-fluoro-4-(thian-3-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCCSC1
InChIInChI=1S/C9H17FOS/c1-7(11)9(10)5-8-3-2-4-12-6-8/h7-9,11H,2-6H2,1H3
InChIKeyRPZIPJCRBOLWIK-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.24
Rot. Bonds3

About 3-fluoro-4-(thian-3-yl)butan-2-ol

3-fluoro-4-(thian-3-yl)butan-2-ol (PubChem CID 105446587) has the molecular formula C9H17FOS and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-fluoro-4-(thian-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-(thian-3-yl)butan-2-ol
PubChem CID105446587
Molecular FormulaC9H17FOS
Molecular Weight192.30 g/mol
Exact Mass192.10
IUPAC Name3-fluoro-4-(thian-3-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCCSC1
InChIInChI=1S/C9H17FOS/c1-7(11)9(10)5-8-3-2-4-12-6-8/h7-9,11H,2-6H2,1H3
InChIKeyRPZIPJCRBOLWIK-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
6-fluoro-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromen-4-ol
CID 145832934
2-Methyl-octahydro-thiochromen-4-ol
CID 2827615
Cyclohexyl(1,3-dithian-2-yl)methanol
CID 12556860
(2S,3R)-1-(1,3-dithian-2-yl)-2-methylheptan-3-ol
CID 56945475
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-ol
CID 105120557
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754
2-Fluoro-3-(thian-4-yl)propan-1-ol
CID 105437755
3-Fluoro-4-(thiolan-3-yl)butan-2-ol
CID 105437756
1-Fluoro-1-(thian-3-yl)propan-2-ol
CID 105437758

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thian-3-yl)butan-2-ol?
The IUPAC name of 3-fluoro-4-(thian-3-yl)butan-2-ol (CID 105446587) is 3-fluoro-4-(thian-3-yl)butan-2-ol.
What is the SMILES notation for 3-fluoro-4-(thian-3-yl)butan-2-ol?
The canonical SMILES for 3-fluoro-4-(thian-3-yl)butan-2-ol is CC(O)C(F)CC1CCCSC1.
What is the InChIKey of 3-fluoro-4-(thian-3-yl)butan-2-ol?
The InChIKey is RPZIPJCRBOLWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FOS/c1-7(11)9(10)5-8-3-2-4-12-6-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 3-fluoro-4-(thian-3-yl)butan-2-ol?
3-fluoro-4-(thian-3-yl)butan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thian-3-yl)butan-2-ol is sourced from PubChem (CID 105446587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).