4-(ethenoxymethyl)-1,1-difluorocyclohexane

C9H14F2O — CID 68560348

IUPAC4-(ethenoxymethyl)-1,1-difluorocyclohexane
SMILESC=COCC1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O/c1-2-12-7-8-3-5-9(10,11)6-4-8/h2,8H,1,3-7H2
InChIKeyCSKABBIYYJRARY-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.97
Rot. Bonds3

About 4-(ethenoxymethyl)-1,1-difluorocyclohexane

4-(ethenoxymethyl)-1,1-difluorocyclohexane (PubChem CID 68560348) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-1,1-difluorocyclohexane.

Molecular Properties

Compound Name4-(ethenoxymethyl)-1,1-difluorocyclohexane
PubChem CID68560348
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name4-(ethenoxymethyl)-1,1-difluorocyclohexane
SMILESC=COCC1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O/c1-2-12-7-8-3-5-9(10,11)6-4-8/h2,8H,1,3-7H2
InChIKeyCSKABBIYYJRARY-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.97
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

2,2,2-Trifluoroethoxymethylcyclohexane
CID 14970149
[(Ethenyloxy)methyl]cyclohexane
CID 15731377
1,1,2,3,3,3-Hexafluoro-1-{[4 (vinyloxymethyl)cyclohexyl]methoxy}propane
CID 18364359
1-(Ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
CID 20593743
1-(Ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
CID 20697784
1-(Ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
CID 20730497
(2-Ethenoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 58776680
1,1-Difluoro-4-(methoxymethyl)cyclohexane
CID 59009675
[2,2-Difluoroethenoxy(difluoro)methyl]cyclohexane
CID 59773666
1-Fluoroethenoxymethylcyclohexane
CID 68559613
[Difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane
CID 71045763
1-(Ethenoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
CID 118898630

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-1,1-difluorocyclohexane?
The IUPAC name of 4-(ethenoxymethyl)-1,1-difluorocyclohexane (CID 68560348) is 4-(ethenoxymethyl)-1,1-difluorocyclohexane.
What is the SMILES notation for 4-(ethenoxymethyl)-1,1-difluorocyclohexane?
The canonical SMILES for 4-(ethenoxymethyl)-1,1-difluorocyclohexane is C=COCC1CCC(F)(F)CC1.
What is the InChIKey of 4-(ethenoxymethyl)-1,1-difluorocyclohexane?
The InChIKey is CSKABBIYYJRARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-2-12-7-8-3-5-9(10,11)6-4-8/h2,8H,1,3-7H2.
What are the key properties of 4-(ethenoxymethyl)-1,1-difluorocyclohexane?
4-(ethenoxymethyl)-1,1-difluorocyclohexane has a molecular weight of 176.21 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-1,1-difluorocyclohexane is sourced from PubChem (CID 68560348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).