5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene

C18H24F4O — CID 67590185

IUPAC5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFCCCC=CC1CCC(C2(OC(F)(F)F)C=CC=CC2)CC1
InChIInChI=1S/C18H24F4O/c19-14-6-1-3-7-15-8-10-16(11-9-15)17(23-18(20,21)22)12-4-2-5-13-17/h2-5,7,12,15-16H,1,6,8-11,13-14H2
InChIKeyWEQFSTRCIZGRQD-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.89
Rot. Bonds6

About 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene

5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 67590185) has the molecular formula C18H24F4O and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID67590185
Molecular FormulaC18H24F4O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESFCCCC=CC1CCC(C2(OC(F)(F)F)C=CC=CC2)CC1
InChIInChI=1S/C18H24F4O/c19-14-6-1-3-7-15-8-10-16(11-9-15)17(23-18(20,21)22)12-4-2-5-13-17/h2-5,7,12,15-16H,1,6,8-11,13-14H2
InChIKeyWEQFSTRCIZGRQD-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene
CID 18411070
3-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]-3-(trifluoromethoxy)cyclohexa-1,4-diene
CID 19695391
1-fluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-6-(trifluoromethoxy)cyclohexa-1,4-diene
CID 19695394
5-fluoro-2-(4-propylcyclohexyl)-5-(trifluoromethoxy)-1H-naphthalene
CID 21870069
6-Fluoro-5-[4-(4-fluorobut-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67589298
2-Ethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67823550
2-Ethyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67823799
6-fluoro-5-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88301852
5-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88302365
5-(4-Propylcyclohexyl)-2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxane
CID 121476250
3-[Difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,5,7-trifluorocyclohepta-1,3-diene
CID 134174233
5-(4-Methylcyclohexyl)-2-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)oxane
CID 137537883

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene (CID 67590185) is 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene is FCCCC=CC1CCC(C2(OC(F)(F)F)C=CC=CC2)CC1.
What is the InChIKey of 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is WEQFSTRCIZGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4O/c19-14-6-1-3-7-15-8-10-16(11-9-15)17(23-18(20,21)22)12-4-2-5-13-17/h2-5,7,12,15-16H,1,6,8-11,13-14H2.
What are the key properties of 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene?
5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 332.38 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-fluoropent-1-enyl)cyclohexyl]-5-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 67590185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).