1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane

C23H41FO — CID 139673873

IUPAC1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCOCC1CCC(CCC2CCC(CC/C=C/CF)CC2)CC1
InChIInChI=1S/C23H41FO/c1-2-18-25-19-23-15-13-22(14-16-23)12-11-21-9-7-20(8-10-21)6-4-3-5-17-24/h3,5,20-23H,2,4,6-19H2,1H3/b5-3+
InChIKeyPTAARQUTBOGCEQ-HWKANZROSA-N
MW352.58 g/mol
LogP7.11
Rot. Bonds11

About 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane

1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 139673873) has the molecular formula C23H41FO and a molecular weight of 352.58 g/mol. Its IUPAC name is 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID139673873
Molecular FormulaC23H41FO
Molecular Weight352.58 g/mol
Exact Mass352.31
IUPAC Name1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCOCC1CCC(CCC2CCC(CC/C=C/CF)CC2)CC1
InChIInChI=1S/C23H41FO/c1-2-18-25-19-23-15-13-22(14-16-23)12-11-21-9-7-20(8-10-21)6-4-3-5-17-24/h3,5,20-23H,2,4,6-19H2,1H3/b5-3+
InChIKeyPTAARQUTBOGCEQ-HWKANZROSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.58
LogP ≤ 57.11
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

1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
1-[(E)-7-fluorohept-1-enyl]-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695231
1-butoxy-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695245
1-[(E)-6-fluorohex-2-enyl]-4-[4-[4-(1-methoxyethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 19695252
1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19695318
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
4-[(E)-7-fluorohept-3-enyl]-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 19695409
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441
1-[(E)-5-fluorohept-3-enyl]-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695469
1-ethoxy-4-[4-[(E)-7-fluorohept-4-enyl]cyclohexyl]cyclohexane
CID 19695478
1-[(E)-4-fluorobut-3-enyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19798821

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane (CID 139673873) is 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane is CCCOCC1CCC(CCC2CCC(CC/C=C/CF)CC2)CC1.
What is the InChIKey of 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is PTAARQUTBOGCEQ-HWKANZROSA-N. The full InChI is InChI=1S/C23H41FO/c1-2-18-25-19-23-15-13-22(14-16-23)12-11-21-9-7-20(8-10-21)6-4-3-5-17-24/h3,5,20-23H,2,4,6-19H2,1H3/b5-3+.
What are the key properties of 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane?
1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 352.58 g/mol, XLogP of 7.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 139673873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).