2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane

C6F10S — CID 14264796

IUPAC2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane
SMILESFC(F)(F)C(=C1SC1(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F10S/c7-3(6(14,15)16)2(17-3)1(4(8,9)10)5(11,12)13
InChIKeyUVYBMOLSINZCBJ-UHFFFAOYSA-N
MW294.11 g/mol
LogP4.34
Rot. Bonds

About 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane

2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane (PubChem CID 14264796) has the molecular formula C6F10S and a molecular weight of 294.11 g/mol. Its IUPAC name is 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane.

Molecular Properties

Compound Name2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane
PubChem CID14264796
Molecular FormulaC6F10S
Molecular Weight294.11 g/mol
Exact Mass293.96
IUPAC Name2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane
SMILESFC(F)(F)C(=C1SC1(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F10S/c7-3(6(14,15)16)2(17-3)1(4(8,9)10)5(11,12)13
InChIKeyUVYBMOLSINZCBJ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(trifluoromethyl)-3-hexafluoroi-propylidenethiirane
CID 23234849

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane?
The IUPAC name of 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane (CID 14264796) is 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane.
What is the SMILES notation for 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane?
The canonical SMILES for 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane is FC(F)(F)C(=C1SC1(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane?
The InChIKey is UVYBMOLSINZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10S/c7-3(6(14,15)16)2(17-3)1(4(8,9)10)5(11,12)13.
What are the key properties of 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane?
2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane has a molecular weight of 294.11 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2-(trifluoromethyl)thiirane is sourced from PubChem (CID 14264796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).