1,2,3,4,5-pentafluorocyclohexane

C6H7F5 — CID 5232226

IUPAC1,2,3,4,5-pentafluorocyclohexane
SMILESFC1CC(F)C(F)C(F)C1F
InChIInChI=1S/C6H7F5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6H,1H2
InChIKeyCGEOMHWAILSAEY-UHFFFAOYSA-N
MW174.11 g/mol
LogP2.08
Rot. Bonds

About 1,2,3,4,5-pentafluorocyclohexane

1,2,3,4,5-pentafluorocyclohexane (PubChem CID 5232226) has the molecular formula C6H7F5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluorocyclohexane.

Molecular Properties

Compound Name1,2,3,4,5-pentafluorocyclohexane
PubChem CID5232226
Molecular FormulaC6H7F5
Molecular Weight174.11 g/mol
Exact Mass174.05
IUPAC Name1,2,3,4,5-pentafluorocyclohexane
SMILESFC1CC(F)C(F)C(F)C1F
InChIInChI=1S/C6H7F5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6H,1H2
InChIKeyCGEOMHWAILSAEY-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluorocyclohexane?
The IUPAC name of 1,2,3,4,5-pentafluorocyclohexane (CID 5232226) is 1,2,3,4,5-pentafluorocyclohexane.
What is the SMILES notation for 1,2,3,4,5-pentafluorocyclohexane?
The canonical SMILES for 1,2,3,4,5-pentafluorocyclohexane is FC1CC(F)C(F)C(F)C1F.
What is the InChIKey of 1,2,3,4,5-pentafluorocyclohexane?
The InChIKey is CGEOMHWAILSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6H,1H2.
What are the key properties of 1,2,3,4,5-pentafluorocyclohexane?
1,2,3,4,5-pentafluorocyclohexane has a molecular weight of 174.11 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluorocyclohexane is sourced from PubChem (CID 5232226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).