1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane

C13H23F — CID 18343978

IUPAC1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(CCF)CC1
InChIInChI=1S/C13H23F/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14/h2-3,12-13H,4-11H2,1H3/b3-2+
InChIKeyHSMXILLMKDKZDI-NSCUHMNNSA-N
MW198.32 g/mol
LogP4.51
Rot. Bonds5

About 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane

1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane (PubChem CID 18343978) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane
PubChem CID18343978
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Name1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(CCF)CC1
InChIInChI=1S/C13H23F/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14/h2-3,12-13H,4-11H2,1H3/b3-2+
InChIKeyHSMXILLMKDKZDI-NSCUHMNNSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
Cyclohexene, 3-propyl-
CID 138092
(3Z)-9-Methyl-3-undecene
CID 550666
3-Butylcyclohex-1-ene
CID 138093
Cyclohexene, 3-hexyl-
CID 139914
Cyclohexane, 1-propenyl-
CID 5358314
(trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-vinyl-1,1'-bi(cyclohexane)
CID 18341917
bPebcH
CID 18724338
PeMebcH
CID 20594849
4-Ethyl-4'-[(1E)-prop-1-en-1-yl]-1,1'-bi(cyclohexane)
CID 53487146
2cHe3cH
CID 163567710
Cyclohexene,3-cyclohexyl-
CID 137222

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane (CID 18343978) is 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane is C/C=C/CCC1CCC(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane?
The InChIKey is HSMXILLMKDKZDI-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H23F/c1-2-3-4-5-12-6-8-13(9-7-12)10-11-14/h2-3,12-13H,4-11H2,1H3/b3-2+.
What are the key properties of 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane?
1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane has a molecular weight of 198.32 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane is sourced from PubChem (CID 18343978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).