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

C7F12S — CID 23234849

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane
SMILESFC(F)(F)C(=C1SC1(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12S/c8-4(9,10)1(5(11,12)13)2-3(20-2,6(14,15)16)7(17,18)19
InChIKeyVRWPNQSNTCPMAW-UHFFFAOYSA-N
MW344.12 g/mol
LogP4.98
Rot. Bonds

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

3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane (PubChem CID 23234849) has the molecular formula C7F12S and a molecular weight of 344.12 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane
PubChem CID23234849
Molecular FormulaC7F12S
Molecular Weight344.12 g/mol
Exact Mass343.95
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane
SMILESFC(F)(F)C(=C1SC1(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12S/c8-4(9,10)1(5(11,12)13)2-3(20-2,6(14,15)16)7(17,18)19
InChIKeyVRWPNQSNTCPMAW-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.12
LogP ≤ 54.98
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-Trifluoromethyl-2-fluoro-3-hexafluoroisopropylidenethiirane
CID 14264796

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane (CID 23234849) is 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane is FC(F)(F)C(=C1SC1(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane?
The InChIKey is VRWPNQSNTCPMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12S/c8-4(9,10)1(5(11,12)13)2-3(20-2,6(14,15)16)7(17,18)19.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane?
3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane has a molecular weight of 344.12 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)thiirane is sourced from PubChem (CID 23234849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).