1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane

C17H27F5O — CID 11198653

IUPAC1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H27F5O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)23-17(21,22)16(18,19)20/h12-15H,2-11H2,1H3
InChIKeyAFCZQMWHQFVECM-UHFFFAOYSA-N
MW342.39 g/mol
LogP6.32
Rot. Bonds5

About 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane

1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 11198653) has the molecular formula C17H27F5O and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID11198653
Molecular FormulaC17H27F5O
Molecular Weight342.39 g/mol
Exact Mass342.20
IUPAC Name1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H27F5O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)23-17(21,22)16(18,19)20/h12-15H,2-11H2,1H3
InChIKeyAFCZQMWHQFVECM-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane (CID 11198653) is 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(OC(F)(F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is AFCZQMWHQFVECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F5O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)23-17(21,22)16(18,19)20/h12-15H,2-11H2,1H3.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane?
1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 342.39 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 11198653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).