6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol

C11H19F3OS — CID 105120557

IUPAC6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol
SMILESOC(CCCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C11H19F3OS/c12-11(13,14)5-1-2-10(15)8-9-3-6-16-7-4-9/h9-10,15H,1-8H2
InChIKeyGGJUDMUCJHDJOB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.61
Rot. Bonds5

About 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol

6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol (PubChem CID 105120557) has the molecular formula C11H19F3OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol
PubChem CID105120557
Molecular FormulaC11H19F3OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol
SMILESOC(CCCC(F)(F)F)CC1CCSCC1
InChIInChI=1S/C11H19F3OS/c12-11(13,14)5-1-2-10(15)8-9-3-6-16-7-4-9/h9-10,15H,1-8H2
InChIKeyGGJUDMUCJHDJOB-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
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 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol (CID 105120557) is 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol is OC(CCCC(F)(F)F)CC1CCSCC1.
What is the InChIKey of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol?
The InChIKey is GGJUDMUCJHDJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OS/c12-11(13,14)5-1-2-10(15)8-9-3-6-16-7-4-9/h9-10,15H,1-8H2.
What are the key properties of 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol?
6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol has a molecular weight of 256.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(thian-4-yl)hexan-2-ol is sourced from PubChem (CID 105120557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).