2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane

C12H10F4OS — CID 102427543

IUPAC2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane
SMILESF/C(=C\C1(c2ccccc2)OCCS1)C(F)(F)F
InChIInChI=1S/C12H10F4OS/c13-10(12(14,15)16)8-11(17-6-7-18-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyLPCCDTXQDNGVDV-NTMALXAHSA-N
MW278.27 g/mol
LogP4.02
Rot. Bonds2

About 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane

2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane (PubChem CID 102427543) has the molecular formula C12H10F4OS and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane.

Molecular Properties

Compound Name2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane
PubChem CID102427543
Molecular FormulaC12H10F4OS
Molecular Weight278.27 g/mol
Exact Mass278.04
IUPAC Name2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane
SMILESF/C(=C\C1(c2ccccc2)OCCS1)C(F)(F)F
InChIInChI=1S/C12H10F4OS/c13-10(12(14,15)16)8-11(17-6-7-18-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyLPCCDTXQDNGVDV-NTMALXAHSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane?
The IUPAC name of 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane (CID 102427543) is 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane.
What is the SMILES notation for 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane?
The canonical SMILES for 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane is F/C(=C\C1(c2ccccc2)OCCS1)C(F)(F)F.
What is the InChIKey of 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane?
The InChIKey is LPCCDTXQDNGVDV-NTMALXAHSA-N. The full InChI is InChI=1S/C12H10F4OS/c13-10(12(14,15)16)8-11(17-6-7-18-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-.
What are the key properties of 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane?
2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane has a molecular weight of 278.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-1,3-oxathiolane is sourced from PubChem (CID 102427543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).