2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol

C11H21F3OS — CID 116627879

IUPAC2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol
SMILESCCCCC(CC)(CO)CCSC(F)(F)F
InChIInChI=1S/C11H21F3OS/c1-3-5-6-10(4-2,9-15)7-8-16-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyNUUWYZYVWZDIJA-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.21
Rot. Bonds8

About 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol

2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol (PubChem CID 116627879) has the molecular formula C11H21F3OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol
PubChem CID116627879
Molecular FormulaC11H21F3OS
Molecular Weight258.35 g/mol
Exact Mass258.13
IUPAC Name2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol
SMILESCCCCC(CC)(CO)CCSC(F)(F)F
InChIInChI=1S/C11H21F3OS/c1-3-5-6-10(4-2,9-15)7-8-16-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyNUUWYZYVWZDIJA-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7,7-Trifluoro-3,3-dimethyl-1-sulfanylheptan-2-ol
CID 21566079
(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
[3-(2,2-Difluoropropyl)thian-4-yl]methanol
CID 115027026
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617336
2,2-Dimethyl-7-(trifluoromethylsulfanyl)heptan-3-ol
CID 116627285
4,4-Dimethyl-6-(trifluoromethylsulfanyl)hexan-2-ol
CID 116627289
3-Methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
CID 116627294
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol
CID 116627873
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexyl]methanol
CID 116627875
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol
CID 116627876
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
CID 116627877

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol (CID 116627879) is 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol is CCCCC(CC)(CO)CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol?
The InChIKey is NUUWYZYVWZDIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3OS/c1-3-5-6-10(4-2,9-15)7-8-16-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol?
2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol has a molecular weight of 258.35 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol is sourced from PubChem (CID 116627879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).