1-fluoroethyl-trimethyl-oxo-λ6-sulfane

C5H13FOS — CID 126738521

IUPAC1-fluoroethyl-trimethyl-oxo-λ6-sulfane
SMILESCC(F)S(C)(C)(C)=O
InChIInChI=1S/C5H13FOS/c1-5(6)8(2,3,4)7/h5H,1-4H3
InChIKeyCMVQJCZKQDBBMY-UHFFFAOYSA-N
MW140.22 g/mol
LogP1.01
Rot. Bonds1

About 1-fluoroethyl-trimethyl-oxo-λ6-sulfane

1-fluoroethyl-trimethyl-oxo-λ6-sulfane (PubChem CID 126738521) has the molecular formula C5H13FOS and a molecular weight of 140.22 g/mol. Its IUPAC name is 1-fluoroethyl-trimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name1-fluoroethyl-trimethyl-oxo-λ6-sulfane
PubChem CID126738521
Molecular FormulaC5H13FOS
Molecular Weight140.22 g/mol
Exact Mass140.07
IUPAC Name1-fluoroethyl-trimethyl-oxo-λ6-sulfane
SMILESCC(F)S(C)(C)(C)=O
InChIInChI=1S/C5H13FOS/c1-5(6)8(2,3,4)7/h5H,1-4H3
InChIKeyCMVQJCZKQDBBMY-UHFFFAOYSA-N
XLogP1.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl-trimethyl-oxo-λ6-sulfane?
The IUPAC name of 1-fluoroethyl-trimethyl-oxo-λ6-sulfane (CID 126738521) is 1-fluoroethyl-trimethyl-oxo-λ6-sulfane.
What is the SMILES notation for 1-fluoroethyl-trimethyl-oxo-λ6-sulfane?
The canonical SMILES for 1-fluoroethyl-trimethyl-oxo-λ6-sulfane is CC(F)S(C)(C)(C)=O.
What is the InChIKey of 1-fluoroethyl-trimethyl-oxo-λ6-sulfane?
The InChIKey is CMVQJCZKQDBBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FOS/c1-5(6)8(2,3,4)7/h5H,1-4H3.
What are the key properties of 1-fluoroethyl-trimethyl-oxo-λ6-sulfane?
1-fluoroethyl-trimethyl-oxo-λ6-sulfane has a molecular weight of 140.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl-trimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 126738521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).