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

C12H21F — CID 18344067

IUPAC1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane
SMILESCC/C=C/C1CCC(CCF)CC1
InChIInChI=1S/C12H21F/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h3-4,11-12H,2,5-10H2,1H3/b4-3+
InChIKeyROBFXCHGDHGJAR-ONEGZZNKSA-N
MW184.30 g/mol
LogP4.12
Rot. Bonds4

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

1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane (PubChem CID 18344067) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane
PubChem CID18344067
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane
SMILESCC/C=C/C1CCC(CCF)CC1
InChIInChI=1S/C12H21F/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h3-4,11-12H,2,5-10H2,1H3/b4-3+
InChIKeyROBFXCHGDHGJAR-ONEGZZNKSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.12
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-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane?
The IUPAC name of 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane (CID 18344067) is 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane is CC/C=C/C1CCC(CCF)CC1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane?
The InChIKey is ROBFXCHGDHGJAR-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H21F/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h3-4,11-12H,2,5-10H2,1H3/b4-3+.
What are the key properties of 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane?
1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane has a molecular weight of 184.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane is sourced from PubChem (CID 18344067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).