2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol

C9H17F3OS — CID 116627877

IUPAC2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
SMILESCCCC(C)(CO)CCSC(F)(F)F
InChIInChI=1S/C9H17F3OS/c1-3-4-8(2,7-13)5-6-14-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeySTQWVXODXVZPHM-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.43
Rot. Bonds6

About 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol

2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol (PubChem CID 116627877) has the molecular formula C9H17F3OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
PubChem CID116627877
Molecular FormulaC9H17F3OS
Molecular Weight230.29 g/mol
Exact Mass230.10
IUPAC Name2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
SMILESCCCC(C)(CO)CCSC(F)(F)F
InChIInChI=1S/C9H17F3OS/c1-3-4-8(2,7-13)5-6-14-9(10,11)12/h13H,3-7H2,1-2H3
InChIKeySTQWVXODXVZPHM-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{3,3-Difluoro-1-[(methylsulfanyl)methyl]cyclobutyl}methanol
CID 155820376
(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
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-ol
CID 116617336
2,2-Dimethyl-7-(trifluoromethylsulfanyl)heptan-3-ol
CID 116627285
4-Methyl-6-(trifluoromethylsulfanyl)hexan-2-ol
CID 116627288
4,4-Dimethyl-6-(trifluoromethylsulfanyl)hexan-2-ol
CID 116627289
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclobutyl]methanol
CID 116627873
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentyl]methanol
CID 116627876
2-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-ol
CID 116627879
2,2-Diethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627880
2-Ethyl-2-methyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
The IUPAC name of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol (CID 116627877) is 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol is CCCC(C)(CO)CCSC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
The InChIKey is STQWVXODXVZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OS/c1-3-4-8(2,7-13)5-6-14-9(10,11)12/h13H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol has a molecular weight of 230.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol is sourced from PubChem (CID 116627877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).