3-(difluoromethylidene)-1-methoxy-4-methylpentane

C8H14F2O — CID 144519449

IUPAC3-(difluoromethylidene)-1-methoxy-4-methylpentane
SMILESCOCCC(=C(F)F)C(C)C
InChIInChI=1S/C8H14F2O/c1-6(2)7(8(9)10)4-5-11-3/h6H,4-5H2,1-3H3
InChIKeyOCWFZYBVYMAXNN-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.83
Rot. Bonds4

About 3-(difluoromethylidene)-1-methoxy-4-methylpentane

3-(difluoromethylidene)-1-methoxy-4-methylpentane (PubChem CID 144519449) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methoxy-4-methylpentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methoxy-4-methylpentane
PubChem CID144519449
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name3-(difluoromethylidene)-1-methoxy-4-methylpentane
SMILESCOCCC(=C(F)F)C(C)C
InChIInChI=1S/C8H14F2O/c1-6(2)7(8(9)10)4-5-11-3/h6H,4-5H2,1-3H3
InChIKeyOCWFZYBVYMAXNN-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methoxy-4-methylpentane?
The IUPAC name of 3-(difluoromethylidene)-1-methoxy-4-methylpentane (CID 144519449) is 3-(difluoromethylidene)-1-methoxy-4-methylpentane.
What is the SMILES notation for 3-(difluoromethylidene)-1-methoxy-4-methylpentane?
The canonical SMILES for 3-(difluoromethylidene)-1-methoxy-4-methylpentane is COCCC(=C(F)F)C(C)C.
What is the InChIKey of 3-(difluoromethylidene)-1-methoxy-4-methylpentane?
The InChIKey is OCWFZYBVYMAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6(2)7(8(9)10)4-5-11-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-(difluoromethylidene)-1-methoxy-4-methylpentane?
3-(difluoromethylidene)-1-methoxy-4-methylpentane has a molecular weight of 164.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methoxy-4-methylpentane is sourced from PubChem (CID 144519449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).