carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene

C4H2F4O2 — CID 170161980

IUPACcarbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
SMILESFC=CC(F)(F)F.O=C=O
InChIInChI=1S/C3H2F4.CO2/c4-2-1-3(5,6)7;2-1-3/h1-2H;
InChIKeyHIXJTCPSJFORQH-UHFFFAOYSA-N
MW158.05 g/mol
LogP1.45
Rot. Bonds

About carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene

carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene (PubChem CID 170161980) has the molecular formula C4H2F4O2 and a molecular weight of 158.05 g/mol. Its IUPAC name is carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Namecarbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
PubChem CID170161980
Molecular FormulaC4H2F4O2
Molecular Weight158.05 g/mol
Exact Mass158.00
IUPAC Namecarbon dioxide;1,3,3,3-tetrafluoroprop-1-ene
SMILESFC=CC(F)(F)F.O=C=O
InChIInChI=1S/C3H2F4.CO2/c4-2-1-3(5,6)7;2-1-3/h1-2H;
InChIKeyHIXJTCPSJFORQH-UHFFFAOYSA-N
XLogP1.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene?
The IUPAC name of carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene (CID 170161980) is carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene.
What is the SMILES notation for carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene?
The canonical SMILES for carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene is FC=CC(F)(F)F.O=C=O.
What is the InChIKey of carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene?
The InChIKey is HIXJTCPSJFORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4.CO2/c4-2-1-3(5,6)7;2-1-3/h1-2H;.
What are the key properties of carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene?
carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene has a molecular weight of 158.05 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1,3,3,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 170161980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).