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

C8H13F3OS — CID 106798239

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol
SMILESCC(O)C1(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H13F3OS/c1-6(12)7(2-3-7)4-5-13-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyNVFRZZHCMGXNMB-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.79
Rot. Bonds4

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

1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol (PubChem CID 106798239) has the molecular formula C8H13F3OS and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol
PubChem CID106798239
Molecular FormulaC8H13F3OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol
SMILESCC(O)C1(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H13F3OS/c1-6(12)7(2-3-7)4-5-13-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyNVFRZZHCMGXNMB-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol 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-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol (CID 106798239) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol is CC(O)C1(CCSC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol?
The InChIKey is NVFRZZHCMGXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OS/c1-6(12)7(2-3-7)4-5-13-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol has a molecular weight of 214.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).