1-(difluoromethoxy)-3-methylidenehexane

C8H14F2O — CID 161344724

IUPAC1-(difluoromethoxy)-3-methylidenehexane
SMILESC=C(CCC)CCOC(F)F
InChIInChI=1S/C8H14F2O/c1-3-4-7(2)5-6-11-8(9)10/h8H,2-6H2,1H3
InChIKeyPUTKDNYAHWRPPO-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.97
Rot. Bonds6

About 1-(difluoromethoxy)-3-methylidenehexane

1-(difluoromethoxy)-3-methylidenehexane (PubChem CID 161344724) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methylidenehexane.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methylidenehexane
PubChem CID161344724
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1-(difluoromethoxy)-3-methylidenehexane
SMILESC=C(CCC)CCOC(F)F
InChIInChI=1S/C8H14F2O/c1-3-4-7(2)5-6-11-8(9)10/h8H,2-6H2,1H3
InChIKeyPUTKDNYAHWRPPO-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methylidenehexane?
The IUPAC name of 1-(difluoromethoxy)-3-methylidenehexane (CID 161344724) is 1-(difluoromethoxy)-3-methylidenehexane.
What is the SMILES notation for 1-(difluoromethoxy)-3-methylidenehexane?
The canonical SMILES for 1-(difluoromethoxy)-3-methylidenehexane is C=C(CCC)CCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3-methylidenehexane?
The InChIKey is PUTKDNYAHWRPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-3-4-7(2)5-6-11-8(9)10/h8H,2-6H2,1H3.
What are the key properties of 1-(difluoromethoxy)-3-methylidenehexane?
1-(difluoromethoxy)-3-methylidenehexane has a molecular weight of 164.19 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methylidenehexane is sourced from PubChem (CID 161344724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).