1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane

C23H41FO — CID 67588978

IUPAC1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
SMILESCOC(C)C1CCC(CCC2CCC(CCC=CCCF)CC2)CC1
InChIInChI=1S/C23H41FO/c1-19(25-2)23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-5-3-4-6-18-24/h3-4,19-23H,5-18H2,1-2H3
InChIKeyBPQWPARBWFLHSQ-UHFFFAOYSA-N
MW352.58 g/mol
LogP7.11
Rot. Bonds10

About 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane

1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 67588978) has the molecular formula C23H41FO and a molecular weight of 352.58 g/mol. Its IUPAC name is 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID67588978
Molecular FormulaC23H41FO
Molecular Weight352.58 g/mol
Exact Mass352.31
IUPAC Name1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
SMILESCOC(C)C1CCC(CCC2CCC(CCC=CCCF)CC2)CC1
InChIInChI=1S/C23H41FO/c1-19(25-2)23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-5-3-4-6-18-24/h3-4,19-23H,5-18H2,1-2H3
InChIKeyBPQWPARBWFLHSQ-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane (CID 67588978) is 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane is COC(C)C1CCC(CCC2CCC(CCC=CCCF)CC2)CC1.
What is the InChIKey of 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is BPQWPARBWFLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41FO/c1-19(25-2)23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-5-3-4-6-18-24/h3-4,19-23H,5-18H2,1-2H3.
What are the key properties of 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 352.58 g/mol, XLogP of 7.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 67588978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).