5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol

C10H17F3OS — CID 105120679

IUPAC5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol
SMILESCC1(C(O)CCCC(F)(F)F)CCCS1
InChIInChI=1S/C10H17F3OS/c1-9(5-3-7-15-9)8(14)4-2-6-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyZXAOWJGUFJUWKW-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.37
Rot. Bonds4

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

5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol (PubChem CID 105120679) has the molecular formula C10H17F3OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol
PubChem CID105120679
Molecular FormulaC10H17F3OS
Molecular Weight242.31 g/mol
Exact Mass242.10
IUPAC Name5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol
SMILESCC1(C(O)CCCC(F)(F)F)CCCS1
InChIInChI=1S/C10H17F3OS/c1-9(5-3-7-15-9)8(14)4-2-6-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyZXAOWJGUFJUWKW-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-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

(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
4,4,4-Trifluoro-1-(thiolan-2-yl)butan-1-ol
CID 80621847
4-(3,3,3-Trifluoropropyl)thiolan-3-ol
CID 83191451
4-(4,4,4-Trifluorobutyl)thiolan-3-ol
CID 83191539
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-ol
CID 105104715
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-ol
CID 105104732
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
3-Fluoro-4-(thiolan-3-yl)butan-2-ol
CID 105437756
1,1-Difluoro-1-(thiolan-3-yl)propan-2-ol
CID 105440138

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol (CID 105120679) is 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol is CC1(C(O)CCCC(F)(F)F)CCCS1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol?
The InChIKey is ZXAOWJGUFJUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3OS/c1-9(5-3-7-15-9)8(14)4-2-6-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol?
5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 3.37, 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-(2-methylthiolan-2-yl)pentan-1-ol is sourced from PubChem (CID 105120679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).