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

C7H13F3OS — CID 91260628

IUPAC2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol
SMILESCCC(CO)CCSC(F)(F)F
InChIInChI=1S/C7H13F3OS/c1-2-6(5-11)3-4-12-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyZWYAVHNZRCCQNT-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.65
Rot. Bonds5

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

2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol (PubChem CID 91260628) has the molecular formula C7H13F3OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol
PubChem CID91260628
Molecular FormulaC7H13F3OS
Molecular Weight202.24 g/mol
Exact Mass202.06
IUPAC Name2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol
SMILESCCC(CO)CCSC(F)(F)F
InChIInChI=1S/C7H13F3OS/c1-2-6(5-11)3-4-12-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyZWYAVHNZRCCQNT-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-(tetrahydro-2H-thiopyran-4-yl)ethanol
CID 67403439
4,4,4-Trifluoro-3-methylthio-1-butanol
CID 87203165
(3S)-3-ethyl-1,1,1-trifluoro-4-methylsulfanylpentan-2-ol
CID 163781208
2-Methyl-3-(2,2,2-trifluoroethylsulfanyl)propan-1-ol
CID 66102712
2-Methyl-3-(3,3,3-trifluoropropylsulfanyl)propan-1-ol
CID 66104728
3-(2,2-Difluoroethylsulfanyl)-2-methylpropan-1-ol
CID 66105318
3-(Difluoromethylsulfanyl)-2-methylpropan-1-ol
CID 66105773
3-(Difluoromethylsulfanyl)butan-1-ol
CID 66138591
2-[(Trifluoromethyl)sulfanyl]butan-1-ol
CID 71418139
4-(2,2-Difluoroethyl)thiolan-3-ol
CID 83190726
4-(2,2,2-Trifluoroethyl)thiolan-3-ol
CID 83190934
3-(Trifluoromethylsulfanyl)butan-1-ol
CID 104022855

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The IUPAC name of 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol (CID 91260628) is 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The canonical SMILES for 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol is CCC(CO)CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The InChIKey is ZWYAVHNZRCCQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3OS/c1-2-6(5-11)3-4-12-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol?
2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol has a molecular weight of 202.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(trifluoromethylsulfanyl)butan-1-ol is sourced from PubChem (CID 91260628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).