1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride

C6H8F6 — CID 161214870

IUPAC1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
SMILESC=CC.F.FC(F)=C(F)C(F)F
InChIInChI=1S/C3HF5.C3H6.FH/c4-1(2(5)6)3(7)8;1-3-2;/h2H;3H,1H2,2H3;1H
InChIKeyQSFFZXROMWDRHS-UHFFFAOYSA-N
MW194.12 g/mol
LogP3.67
Rot. Bonds1

About 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride

1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride (PubChem CID 161214870) has the molecular formula C6H8F6 and a molecular weight of 194.12 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
PubChem CID161214870
Molecular FormulaC6H8F6
Molecular Weight194.12 g/mol
Exact Mass194.05
IUPAC Name1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
SMILESC=CC.F.FC(F)=C(F)C(F)F
InChIInChI=1S/C3HF5.C3H6.FH/c4-1(2(5)6)3(7)8;1-3-2;/h2H;3H,1H2,2H3;1H
InChIKeyQSFFZXROMWDRHS-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;1,1,2,3,3-pentafluoroprop-1-ene
CID 135262212
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
ethene;prop-1-ene;decahydrofluoride
CID 172847314
molecular fluorine;prop-1-ene
CID 173099849
prop-1-ene;hydrobromide;hydrofluoride
CID 172788779
prop-1-ene
CID 162178440
(3E)-3-(difluoromethoxy)penta-1,3-diene
CID 143010384
(3E)-2-fluorohexa-3,5-dien-3-ol
CID 170094362
CID 159564158
CID 159564158
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride?
The IUPAC name of 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride (CID 161214870) is 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride.
What is the SMILES notation for 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride?
The canonical SMILES for 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride is C=CC.F.FC(F)=C(F)C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride?
The InChIKey is QSFFZXROMWDRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5.C3H6.FH/c4-1(2(5)6)3(7)8;1-3-2;/h2H;3H,1H2,2H3;1H.
What are the key properties of 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride?
1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride has a molecular weight of 194.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride is sourced from PubChem (CID 161214870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).