1-(1,1-difluoroethoxy)-3-methylidenecyclohexane

C9H14F2O — CID 91590459

IUPAC1-(1,1-difluoroethoxy)-3-methylidenecyclohexane
SMILESC=C1CCCC(OC(C)(F)F)C1
InChIInChI=1S/C9H14F2O/c1-7-4-3-5-8(6-7)12-9(2,10)11/h8H,1,3-6H2,2H3
InChIKeyDGIWFRMKWVFGNT-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.11
Rot. Bonds2

About 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane

1-(1,1-difluoroethoxy)-3-methylidenecyclohexane (PubChem CID 91590459) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-3-methylidenecyclohexane
PubChem CID91590459
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-(1,1-difluoroethoxy)-3-methylidenecyclohexane
SMILESC=C1CCCC(OC(C)(F)F)C1
InChIInChI=1S/C9H14F2O/c1-7-4-3-5-8(6-7)12-9(2,10)11/h8H,1,3-6H2,2H3
InChIKeyDGIWFRMKWVFGNT-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanol, 1-methoxy-3-methylene-, (+-)-
CID 145304
3,6-Bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane
CID 15247581
1-Methylidene-3-(trifluoromethoxy)cyclohexane
CID 90701572
2-Fluoro-1-methoxy-3-methylidenecyclohexane
CID 90760716
2-Fluoro-4-methoxy-1-methylidenecyclohexane
CID 90976132
1-Methoxy-2-methylidene-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 91179780
1-Methylene-4-(trifluoromethoxy)cyclohexane
CID 91181536
1-Fluoro-3-methoxy-5-methylidenecyclohexane
CID 91244013
1-Ethoxy-2-fluoro-4-methylidenecyclohexane
CID 91248539
2-Fluoro-1-methoxy-4-methylidenecyclohexane
CID 91250832
1-Ethoxy-4-fluoro-2-methylidenecyclohexane
CID 91268962
1-(Difluoromethoxy)-4-methylidenecyclohexane
CID 91269689

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane?
The IUPAC name of 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane (CID 91590459) is 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane is C=C1CCCC(OC(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane?
The InChIKey is DGIWFRMKWVFGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-7-4-3-5-8(6-7)12-9(2,10)11/h8H,1,3-6H2,2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane?
1-(1,1-difluoroethoxy)-3-methylidenecyclohexane has a molecular weight of 176.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-3-methylidenecyclohexane is sourced from PubChem (CID 91590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).