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

C8H15F3OS — CID 116627887

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
SMILESCCCC(CO)CCSC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-2-3-7(6-12)4-5-13-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyFJHNXIXABDTPOF-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.04
Rot. Bonds6

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

2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol (PubChem CID 116627887) has the molecular formula C8H15F3OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
PubChem CID116627887
Molecular FormulaC8H15F3OS
Molecular Weight216.27 g/mol
Exact Mass216.08
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol
SMILESCCCC(CO)CCSC(F)(F)F
InChIInChI=1S/C8H15F3OS/c1-2-3-7(6-12)4-5-13-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyFJHNXIXABDTPOF-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
2-Ethyl-4-(trifluoromethylsulfanyl)butan-1-ol
CID 91260628
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
4-Ethyl-1,1,1-trifluoro-5-sulfanylhexan-2-ol
CID 123495345
(4S)-1,1,1-trifluoro-4-(methylsulfanylmethyl)hexane-2,2-diol
CID 129153537
4-Ethyl-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexan-2-ol
CID 129153585
(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
(3S)-3-ethyl-1,1,1-trifluoro-4-methylsulfanylpentan-2-ol
CID 163781208
[(1S)-3,3-difluoro-1-methylsulfanylcyclopentyl]methanol
CID 167145267
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439
2,2-Difluoro-3-(thiolan-3-yl)propan-1-ol
CID 105440134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol (CID 116627887) is 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol is CCCC(CO)CCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
The InChIKey is FJHNXIXABDTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OS/c1-2-3-7(6-12)4-5-13-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol?
2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol has a molecular weight of 216.27 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-ol is sourced from PubChem (CID 116627887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).