1-fluoroethenoxymethylcyclohexane

C9H15FO — CID 68559613

IUPAC1-fluoroethenoxymethylcyclohexane
SMILESC=C(F)OCC1CCCCC1
InChIInChI=1S/C9H15FO/c1-8(10)11-7-9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyQFDHKRUYHQYHDY-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.02
Rot. Bonds3

About 1-fluoroethenoxymethylcyclohexane

1-fluoroethenoxymethylcyclohexane (PubChem CID 68559613) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-fluoroethenoxymethylcyclohexane.

Molecular Properties

Compound Name1-fluoroethenoxymethylcyclohexane
PubChem CID68559613
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-fluoroethenoxymethylcyclohexane
SMILESC=C(F)OCC1CCCCC1
InChIInChI=1S/C9H15FO/c1-8(10)11-7-9-5-3-2-4-6-9/h9H,1-7H2
InChIKeyQFDHKRUYHQYHDY-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(Ethenyloxy)methyl]cyclohexane
CID 15731377
1-(Ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
CID 20593743
1-Fluoro-4-(methoxymethyl)cyclohexane
CID 59009677
[2,2-Difluoroethenoxy(difluoro)methyl]cyclohexane
CID 59773666
1-(Ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
CID 59872809
4-(Ethenoxymethyl)-1,1-difluorocyclohexane
CID 68560348
1,2-Difluoro-3-(methoxymethyl)cyclohexane
CID 89098847
1-Fluoro-3-(methoxymethyl)cyclohexane
CID 89880955
1,3-Difluoro-5-(methoxymethyl)cyclohexane
CID 89880958
2-(4-Ethenoxybutoxymethyl)-1,3,5-trifluorocyclohexane
CID 140421307
1-Fluoro-1-(methoxymethyl)cyclohexane
CID 155587290
Trifluoromethoxymethylcyclohexane
CID 173788429

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethenoxymethylcyclohexane?
The IUPAC name of 1-fluoroethenoxymethylcyclohexane (CID 68559613) is 1-fluoroethenoxymethylcyclohexane.
What is the SMILES notation for 1-fluoroethenoxymethylcyclohexane?
The canonical SMILES for 1-fluoroethenoxymethylcyclohexane is C=C(F)OCC1CCCCC1.
What is the InChIKey of 1-fluoroethenoxymethylcyclohexane?
The InChIKey is QFDHKRUYHQYHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-8(10)11-7-9-5-3-2-4-6-9/h9H,1-7H2.
What are the key properties of 1-fluoroethenoxymethylcyclohexane?
1-fluoroethenoxymethylcyclohexane has a molecular weight of 158.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethenoxymethylcyclohexane is sourced from PubChem (CID 68559613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).