1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene

C9H6F12 — CID 170852840

IUPAC1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
SMILESC=C.C=C(F)F.FC(F)=C(F)C(F)(F)F.FC(F)=C(F)F
InChIInChI=1S/C3F6.C2F4.C2H2F2.C2H4/c4-1(2(5)6)3(7,8)9;3-1(4)2(5)6;1-2(3)4;1-2/h;;1H2;1-2H2
InChIKeySFFUXPBJCXPHHD-UHFFFAOYSA-N
MW342.12 g/mol
LogP6.82
Rot. Bonds

About 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene

1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene (PubChem CID 170852840) has the molecular formula C9H6F12 and a molecular weight of 342.12 g/mol. Its IUPAC name is 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Name1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
PubChem CID170852840
Molecular FormulaC9H6F12
Molecular Weight342.12 g/mol
Exact Mass342.03
IUPAC Name1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
SMILESC=C.C=C(F)F.FC(F)=C(F)C(F)(F)F.FC(F)=C(F)F
InChIInChI=1S/C3F6.C2F4.C2H2F2.C2H4/c4-1(2(5)6)3(7,8)9;3-1(4)2(5)6;1-2(3)4;1-2/h;;1H2;1-2H2
InChIKeySFFUXPBJCXPHHD-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.12
LogP ≤ 56.82
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 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene?
The IUPAC name of 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene (CID 170852840) is 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene?
The canonical SMILES for 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene is C=C.C=C(F)F.FC(F)=C(F)C(F)(F)F.FC(F)=C(F)F.
What is the InChIKey of 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene?
The InChIKey is SFFUXPBJCXPHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6.C2F4.C2H2F2.C2H4/c4-1(2(5)6)3(7,8)9;3-1(4)2(5)6;1-2(3)4;1-2/h;;1H2;1-2H2.
What are the key properties of 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene?
1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene has a molecular weight of 342.12 g/mol, XLogP of 6.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethene;ethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 170852840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).