4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene

C5H2Cl2F6 — CID 168864635

IUPAC4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
SMILESFC(F)(F)C=CC(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C5H2Cl2F6/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H
InChIKeyROEMNYNSNPPJCD-UHFFFAOYSA-N
MW246.97 g/mol
LogP3.84
Rot. Bonds1

About 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene

4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene (PubChem CID 168864635) has the molecular formula C5H2Cl2F6 and a molecular weight of 246.97 g/mol. Its IUPAC name is 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene.

Molecular Properties

Compound Name4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
PubChem CID168864635
Molecular FormulaC5H2Cl2F6
Molecular Weight246.97 g/mol
Exact Mass245.94
IUPAC Name4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
SMILESFC(F)(F)C=CC(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C5H2Cl2F6/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H
InChIKeyROEMNYNSNPPJCD-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.97
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
1-chloro-3,3,3-trifluoroprop-1-ene;(E)-1-chloro-3,3,3-trifluoroprop-1-ene
CID 158927719
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene
CID 175725236
1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene
CID 90757464
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
(E)-3-chloro-1,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 21459299
(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene
CID 121267619
3,3,3-trifluoroprop-1-ene-1-thiol
CID 154141998

Frequently Asked Questions

What is the IUPAC name of 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene?
The IUPAC name of 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene (CID 168864635) is 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene.
What is the SMILES notation for 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene?
The canonical SMILES for 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene is FC(F)(F)C=CC(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene?
The InChIKey is ROEMNYNSNPPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F6/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H.
What are the key properties of 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene?
4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene has a molecular weight of 246.97 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene is sourced from PubChem (CID 168864635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).