1-(1,1,2,2,2-pentafluoroethyl)cyclohexene

C8H9F5 — CID 23233414

IUPAC1-(1,1,2,2,2-pentafluoroethyl)cyclohexene
SMILESFC(F)(F)C(F)(F)C1=CCCCC1
InChIInChI=1S/C8H9F5/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyDFAZKQHBDBIGKY-UHFFFAOYSA-N
MW200.15 g/mol
LogP3.68
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene

1-(1,1,2,2,2-pentafluoroethyl)cyclohexene (PubChem CID 23233414) has the molecular formula C8H9F5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)cyclohexene
PubChem CID23233414
Molecular FormulaC8H9F5
Molecular Weight200.15 g/mol
Exact Mass200.06
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)cyclohexene
SMILESFC(F)(F)C(F)(F)C1=CCCCC1
InChIInChI=1S/C8H9F5/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyDFAZKQHBDBIGKY-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 10864207
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
(5E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 13722135
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentadecafluorotetradec-6-ene
CID 138396311
[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-Octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-lambda2-stannane
CID 139594255
3,3-Difluoro-1-octylcycloprop-1-ene
CID 15709092
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
CID 85293716
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
CID 162345348
1-(Difluoromethyl)cyclohexene
CID 13431149
2-(Trifluoromethyl)cyclohexene
CID 13431162

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene (CID 23233414) is 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene is FC(F)(F)C(F)(F)C1=CCCCC1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
The InChIKey is DFAZKQHBDBIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5/c9-7(10,8(11,12)13)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
1-(1,1,2,2,2-pentafluoroethyl)cyclohexene has a molecular weight of 200.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)cyclohexene is sourced from PubChem (CID 23233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).