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

C11H19F — CID 18343981

IUPAC1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(CCF)CC1
InChIInChI=1S/C11H19F/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyBCBNIEGUWGNAJU-NSCUHMNNSA-N
MW170.27 g/mol
LogP3.73
Rot. Bonds3

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

1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane (PubChem CID 18343981) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane
PubChem CID18343981
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(CCF)CC1
InChIInChI=1S/C11H19F/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyBCBNIEGUWGNAJU-NSCUHMNNSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.73
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)-prop-1-enyl]cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane (CID 18343981) is 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCC(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is BCBNIEGUWGNAJU-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19F/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2-3,10-11H,4-9H2,1H3/b3-2+.
What are the key properties of 1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane?
1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 170.27 g/mol, XLogP of 3.73, 3 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)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 18343981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).