1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane

C9H11F5 — CID 58999458

IUPAC1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane
SMILESFC(F)=C(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H11F5/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyDBRAZVBNUMHMLZ-UHFFFAOYSA-N
MW214.18 g/mol
LogP4.28
Rot. Bonds1

About 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane

1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane (PubChem CID 58999458) has the molecular formula C9H11F5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane
PubChem CID58999458
Molecular FormulaC9H11F5
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane
SMILESFC(F)=C(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H11F5/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyDBRAZVBNUMHMLZ-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane?
The IUPAC name of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane (CID 58999458) is 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane?
The canonical SMILES for 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane is FC(F)=C(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane?
The InChIKey is DBRAZVBNUMHMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane?
1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane has a molecular weight of 214.18 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoroprop-1-en-2-ylcyclohexane is sourced from PubChem (CID 58999458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).