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

C5H4F6 — CID 87565664

IUPACethene;1,1,2,3,3,3-hexafluoroprop-1-ene
SMILESC=C.FC(F)=C(F)C(F)(F)F
InChIInChI=1S/C3F6.C2H4/c4-1(2(5)6)3(7,8)9;1-2/h;1-2H2
InChIKeyPSJOREXZNBZJPT-UHFFFAOYSA-N
MW178.07 g/mol
LogP3.43
Rot. Bonds

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

ethene;1,1,2,3,3,3-hexafluoroprop-1-ene (PubChem CID 87565664) has the molecular formula C5H4F6 and a molecular weight of 178.07 g/mol. Its IUPAC name is ethene;1,1,2,3,3,3-hexafluoroprop-1-ene.

Molecular Properties

Compound Nameethene;1,1,2,3,3,3-hexafluoroprop-1-ene
PubChem CID87565664
Molecular FormulaC5H4F6
Molecular Weight178.07 g/mol
Exact Mass178.02
IUPAC Nameethene;1,1,2,3,3,3-hexafluoroprop-1-ene
SMILESC=C.FC(F)=C(F)C(F)(F)F
InChIInChI=1S/C3F6.C2H4/c4-1(2(5)6)3(7,8)9;1-2/h;1-2H2
InChIKeyPSJOREXZNBZJPT-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 53.43
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

1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
1,1-difluoroethene;ethenoxyethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 174624202
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
ethene;1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
CID 88622012
(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
CID 5462741
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]boronic acid
CID 57416382
1,1,2,3,3,4-hexafluoropenta-1,4-diene
CID 167048504
1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
CID 173395165
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305

Frequently Asked Questions

What is the IUPAC name of ethene;1,1,2,3,3,3-hexafluoroprop-1-ene?
The IUPAC name of ethene;1,1,2,3,3,3-hexafluoroprop-1-ene (CID 87565664) is ethene;1,1,2,3,3,3-hexafluoroprop-1-ene.
What is the SMILES notation for ethene;1,1,2,3,3,3-hexafluoroprop-1-ene?
The canonical SMILES for ethene;1,1,2,3,3,3-hexafluoroprop-1-ene is C=C.FC(F)=C(F)C(F)(F)F.
What is the InChIKey of ethene;1,1,2,3,3,3-hexafluoroprop-1-ene?
The InChIKey is PSJOREXZNBZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6.C2H4/c4-1(2(5)6)3(7,8)9;1-2/h;1-2H2.
What are the key properties of ethene;1,1,2,3,3,3-hexafluoroprop-1-ene?
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene has a molecular weight of 178.07 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,1,2,3,3,3-hexafluoroprop-1-ene is sourced from PubChem (CID 87565664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).