1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol

C10H17F3OS — CID 63902082

IUPAC1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol
SMILESCC1CCCC(SCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3OS/c1-7-3-2-4-8(5-7)15-6-9(14)10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyWISVASVUHCCSDC-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.22
Rot. Bonds3

About 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol

1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol (PubChem CID 63902082) has the molecular formula C10H17F3OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol
PubChem CID63902082
Molecular FormulaC10H17F3OS
Molecular Weight242.31 g/mol
Exact Mass242.10
IUPAC Name1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol
SMILESCC1CCCC(SCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H17F3OS/c1-7-3-2-4-8(5-7)15-6-9(14)10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyWISVASVUHCCSDC-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol (CID 63902082) is 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol is CC1CCCC(SCC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol?
The InChIKey is WISVASVUHCCSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3OS/c1-7-3-2-4-8(5-7)15-6-9(14)10(11,12)13/h7-9,14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol?
1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol has a molecular weight of 242.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methylcyclohexyl)sulfanylpropan-2-ol is sourced from PubChem (CID 63902082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).