2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene

C23H29F3 — CID 156509672

IUPAC2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene
SMILESC=CC1CCC(C2CCC(C3Cc4cccc(F)c4C3(F)F)CC2)CC1
InChIInChI=1S/C23H29F3/c1-2-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20-14-19-4-3-5-21(24)22(19)23(20,25)26/h2-5,15-18,20H,1,6-14H2
InChIKeyOWHWTJHWKQPGHR-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.89
Rot. Bonds3

About 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene

2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene (PubChem CID 156509672) has the molecular formula C23H29F3 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene.

Molecular Properties

Compound Name2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene
PubChem CID156509672
Molecular FormulaC23H29F3
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene
SMILESC=CC1CCC(C2CCC(C3Cc4cccc(F)c4C3(F)F)CC2)CC1
InChIInChI=1S/C23H29F3/c1-2-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20-14-19-4-3-5-21(24)22(19)23(20,25)26/h2-5,15-18,20H,1,6-14H2
InChIKeyOWHWTJHWKQPGHR-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.89
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 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene?
The IUPAC name of 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene (CID 156509672) is 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene.
What is the SMILES notation for 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene?
The canonical SMILES for 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene is C=CC1CCC(C2CCC(C3Cc4cccc(F)c4C3(F)F)CC2)CC1.
What is the InChIKey of 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene?
The InChIKey is OWHWTJHWKQPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3/c1-2-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20-14-19-4-3-5-21(24)22(19)23(20,25)26/h2-5,15-18,20H,1,6-14H2.
What are the key properties of 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene?
2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene has a molecular weight of 362.48 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene is sourced from PubChem (CID 156509672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).