1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane

C13H20F2O — CID 170274170

IUPAC1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane
SMILESC=C(CCC)C(=C)OC1CCC(F)(F)CC1
InChIInChI=1S/C13H20F2O/c1-4-5-10(2)11(3)16-12-6-8-13(14,15)9-7-12/h12H,2-9H2,1H3
InChIKeyAGILEDRMBQQYBE-UHFFFAOYSA-N
MW230.30 g/mol
LogP4.45
Rot. Bonds5

About 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane

1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane (PubChem CID 170274170) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane
PubChem CID170274170
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane
SMILESC=C(CCC)C(=C)OC1CCC(F)(F)CC1
InChIInChI=1S/C13H20F2O/c1-4-5-10(2)11(3)16-12-6-8-13(14,15)9-7-12/h12H,2-9H2,1H3
InChIKeyAGILEDRMBQQYBE-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane (CID 170274170) is 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane is C=C(CCC)C(=C)OC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane?
The InChIKey is AGILEDRMBQQYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O/c1-4-5-10(2)11(3)16-12-6-8-13(14,15)9-7-12/h12H,2-9H2,1H3.
What are the key properties of 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane?
1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane has a molecular weight of 230.30 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(3-methylidenehex-1-en-2-yloxy)cyclohexane is sourced from PubChem (CID 170274170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).