3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol

C5H7F3OS — CID 73453969

IUPAC3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol
SMILESOCC=CSCC(F)(F)F
InChIInChI=1S/C5H7F3OS/c6-5(7,8)4-10-3-1-2-9/h1,3,9H,2,4H2
InChIKeyBPMAFVSDWWRBTF-UHFFFAOYSA-N
MW172.17 g/mol
LogP1.79
Rot. Bonds3

About 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol

3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol (PubChem CID 73453969) has the molecular formula C5H7F3OS and a molecular weight of 172.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol
PubChem CID73453969
Molecular FormulaC5H7F3OS
Molecular Weight172.17 g/mol
Exact Mass172.02
IUPAC Name3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol
SMILESOCC=CSCC(F)(F)F
InChIInChI=1S/C5H7F3OS/c6-5(7,8)4-10-3-1-2-9/h1,3,9H,2,4H2
InChIKeyBPMAFVSDWWRBTF-UHFFFAOYSA-N
XLogP1.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol (CID 73453969) is 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol is OCC=CSCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol?
The InChIKey is BPMAFVSDWWRBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3OS/c6-5(7,8)4-10-3-1-2-9/h1,3,9H,2,4H2.
What are the key properties of 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol?
3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol has a molecular weight of 172.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol is sourced from PubChem (CID 73453969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).