4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol

C8H15F3OS — CID 116617352

IUPAC4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
SMILESCCC(O)C(C)CCSC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-3-7(12)6(2)4-5-13-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeySGOFSMHOLHSHQQ-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.04
Rot. Bonds5

About 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol

4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol (PubChem CID 116617352) has the molecular formula C8H15F3OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
PubChem CID116617352
Molecular FormulaC8H15F3OS
Molecular Weight216.27 g/mol
Exact Mass216.08
IUPAC Name4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol
SMILESCCC(O)C(C)CCSC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-3-7(12)6(2)4-5-13-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeySGOFSMHOLHSHQQ-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
(4R)-4-methylheptan-3-ol
CID 12799251
4,7,7-trimethyloctan-3-ol
CID 63562017
3-(chloromethyl)-1-(trifluoromethylsulfanyl)pentane
CID 116627937
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
CID 143500605
3-(bromomethyl)-1-(trifluoromethylsulfanyl)hexane
CID 116627967
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]butanoic acid
CID 105353661
methyl 2-amino-4-(trifluoromethylsulfanyl)butanoate
CID 11127699
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol?
The IUPAC name of 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol (CID 116617352) is 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol.
What is the SMILES notation for 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol?
The canonical SMILES for 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol is CCC(O)C(C)CCSC(F)(F)F.
What is the InChIKey of 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol?
The InChIKey is SGOFSMHOLHSHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OS/c1-3-7(12)6(2)4-5-13-8(9,10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol?
4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol has a molecular weight of 216.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethylsulfanyl)hexan-3-ol is sourced from PubChem (CID 116617352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).