ethene;1,1,1-trifluoroethane

C4H7F3 — CID 175131333

IUPACethene;1,1,1-trifluoroethane
SMILESC=C.CC(F)(F)F
InChIInChI=1S/C2H3F3.C2H4/c1-2(3,4)5;1-2/h1H3;1-2H2
InChIKeyPZLQLJDEOCNFON-UHFFFAOYSA-N
MW112.09 g/mol
LogP2.37
Rot. Bonds

About ethene;1,1,1-trifluoroethane

ethene;1,1,1-trifluoroethane (PubChem CID 175131333) has the molecular formula C4H7F3 and a molecular weight of 112.09 g/mol. Its IUPAC name is ethene;1,1,1-trifluoroethane.

Molecular Properties

Compound Nameethene;1,1,1-trifluoroethane
PubChem CID175131333
Molecular FormulaC4H7F3
Molecular Weight112.09 g/mol
Exact Mass112.05
IUPAC Nameethene;1,1,1-trifluoroethane
SMILESC=C.CC(F)(F)F
InChIInChI=1S/C2H3F3.C2H4/c1-2(3,4)5;1-2/h1H3;1-2H2
InChIKeyPZLQLJDEOCNFON-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1,1,1-trifluoroethane?
The IUPAC name of ethene;1,1,1-trifluoroethane (CID 175131333) is ethene;1,1,1-trifluoroethane.
What is the SMILES notation for ethene;1,1,1-trifluoroethane?
The canonical SMILES for ethene;1,1,1-trifluoroethane is C=C.CC(F)(F)F.
What is the InChIKey of ethene;1,1,1-trifluoroethane?
The InChIKey is PZLQLJDEOCNFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3.C2H4/c1-2(3,4)5;1-2/h1H3;1-2H2.
What are the key properties of ethene;1,1,1-trifluoroethane?
ethene;1,1,1-trifluoroethane has a molecular weight of 112.09 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,1,1-trifluoroethane is sourced from PubChem (CID 175131333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).