2-ethylsulfanyl-1,1,1-trifluoroethane

C4H7F3S — CID 6432510

IUPAC2-ethylsulfanyl-1,1,1-trifluoroethane
SMILESCCSCC(F)(F)F
InChIInChI=1S/C4H7F3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3
InChIKeyHGTCKYWIBWROKM-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.30
Rot. Bonds2

About 2-ethylsulfanyl-1,1,1-trifluoroethane

2-ethylsulfanyl-1,1,1-trifluoroethane (PubChem CID 6432510) has the molecular formula C4H7F3S and a molecular weight of 144.16 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-ethylsulfanyl-1,1,1-trifluoroethane
PubChem CID6432510
Molecular FormulaC4H7F3S
Molecular Weight144.16 g/mol
Exact Mass144.02
IUPAC Name2-ethylsulfanyl-1,1,1-trifluoroethane
SMILESCCSCC(F)(F)F
InChIInChI=1S/C4H7F3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3
InChIKeyHGTCKYWIBWROKM-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethylsulfanyl-1,1,1-trifluoroethane 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 2-ethylsulfanyl-1,1,1-trifluoroethane?
The IUPAC name of 2-ethylsulfanyl-1,1,1-trifluoroethane (CID 6432510) is 2-ethylsulfanyl-1,1,1-trifluoroethane.
What is the SMILES notation for 2-ethylsulfanyl-1,1,1-trifluoroethane?
The canonical SMILES for 2-ethylsulfanyl-1,1,1-trifluoroethane is CCSCC(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-1,1,1-trifluoroethane?
The InChIKey is HGTCKYWIBWROKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3S/c1-2-8-3-4(5,6)7/h2-3H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,1,1-trifluoroethane?
2-ethylsulfanyl-1,1,1-trifluoroethane has a molecular weight of 144.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,1,1-trifluoroethane is sourced from PubChem (CID 6432510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).