1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane

C18H29F3 — CID 19763110

IUPAC1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
SMILESCCCC1CCC(/C=C/C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H29F3/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(19,20)21/h8-9,14-17H,2-7,10-13H2,1H3/b9-8+
InChIKeyYVVUXXLUBHHZIX-CMDGGOBGSA-N
MW302.42 g/mol
LogP6.52
Rot. Bonds4

About 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane

1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane (PubChem CID 19763110) has the molecular formula C18H29F3 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
PubChem CID19763110
Molecular FormulaC18H29F3
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
SMILESCCCC1CCC(/C=C/C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H29F3/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(19,20)21/h8-9,14-17H,2-7,10-13H2,1H3/b9-8+
InChIKeyYVVUXXLUBHHZIX-CMDGGOBGSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane (CID 19763110) is 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane is CCCC1CCC(/C=C/C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
The InChIKey is YVVUXXLUBHHZIX-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H29F3/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(13-11-16)18(19,20)21/h8-9,14-17H,2-7,10-13H2,1H3/b9-8+.
What are the key properties of 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane?
1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane has a molecular weight of 302.42 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 19763110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).