[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol

C7H11F3OS — CID 116627874

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol
SMILESOCC1(CCSC(F)(F)F)CC1
InChIInChI=1S/C7H11F3OS/c8-7(9,10)12-4-3-6(5-11)1-2-6/h11H,1-5H2
InChIKeyOCTFRFQSXWRIHO-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.40
Rot. Bonds4

About [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol (PubChem CID 116627874) has the molecular formula C7H11F3OS and a molecular weight of 200.22 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol
PubChem CID116627874
Molecular FormulaC7H11F3OS
Molecular Weight200.22 g/mol
Exact Mass200.05
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol
SMILESOCC1(CCSC(F)(F)F)CC1
InChIInChI=1S/C7H11F3OS/c8-7(9,10)12-4-3-6(5-11)1-2-6/h11H,1-5H2
InChIKeyOCTFRFQSXWRIHO-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol (CID 116627874) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol is OCC1(CCSC(F)(F)F)CC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol?
The InChIKey is OCTFRFQSXWRIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3OS/c8-7(9,10)12-4-3-6(5-11)1-2-6/h11H,1-5H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol has a molecular weight of 200.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]methanol is sourced from PubChem (CID 116627874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).