2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol

C8H15F3OS — CID 116627884

IUPAC2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol
SMILESCCC(C)(CO)CCSC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-3-7(2,6-12)4-5-13-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyWVWQZTFCEQWMRN-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.04
Rot. Bonds5

About 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol

2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol (PubChem CID 116627884) has the molecular formula C8H15F3OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol
PubChem CID116627884
Molecular FormulaC8H15F3OS
Molecular Weight216.27 g/mol
Exact Mass216.08
IUPAC Name2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol
SMILESCCC(C)(CO)CCSC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-3-7(2,6-12)4-5-13-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyWVWQZTFCEQWMRN-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

{3,3-Difluoro-1-[(methylsulfanyl)methyl]cyclobutyl}methanol
CID 155820376
2-Ethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 91260628
(3S)-3-ethyl-1,1,1-trifluoro-4-methylsulfanylpentan-2-ol
CID 163781208
[4-(Difluoromethyl)thian-4-yl]methanol
CID 84768778
[4-(1,1-Difluoroethyl)thian-4-yl]methanol
CID 84774021
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol
CID 106798239
3-Ethyl-5-(trifluoromethylsulfanyl)pentan-2-ol
CID 116617334
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617336
3-Methyl-5-(trifluoromethylsulfanyl)pentan-2-ol
CID 116617340
4,4-Dimethyl-6-(trifluoromethylsulfanyl)hexan-2-ol
CID 116627289
2,2-Dimethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627867
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol
CID 116627873

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol (CID 116627884) is 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol is CCC(C)(CO)CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The InChIKey is WVWQZTFCEQWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OS/c1-3-7(2,6-12)4-5-13-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol?
2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-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 2-ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol is sourced from PubChem (CID 116627884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).