1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane

C20H33F3O — CID 54396473

IUPAC1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane
SMILESCCCOC(CC=CC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C20H33F3O/c1-2-15-24-19(20(21,22)23)10-6-7-16-11-13-18(14-12-16)17-8-4-3-5-9-17/h6-7,16-19H,2-5,8-15H2,1H3
InChIKeyVKHXSKFVSBKBPB-UHFFFAOYSA-N
MW346.48 g/mol
LogP6.68
Rot. Bonds7

About 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane

1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane (PubChem CID 54396473) has the molecular formula C20H33F3O and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane
PubChem CID54396473
Molecular FormulaC20H33F3O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane
SMILESCCCOC(CC=CC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C20H33F3O/c1-2-15-24-19(20(21,22)23)10-6-7-16-11-13-18(14-12-16)17-8-4-3-5-9-17/h6-7,16-19H,2-5,8-15H2,1H3
InChIKeyVKHXSKFVSBKBPB-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane (CID 54396473) is 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane is CCCOC(CC=CC1CCC(C2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane?
The InChIKey is VKHXSKFVSBKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F3O/c1-2-15-24-19(20(21,22)23)10-6-7-16-11-13-18(14-12-16)17-8-4-3-5-9-17/h6-7,16-19H,2-5,8-15H2,1H3.
What are the key properties of 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane?
1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane has a molecular weight of 346.48 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane is sourced from PubChem (CID 54396473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).