3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane

C12H24F2O — CID 144519435

IUPAC3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane
SMILESCC.CCOCCC(=C(F)F)C(C)(C)C
InChIInChI=1S/C10H18F2O.C2H6/c1-5-13-7-6-8(9(11)12)10(2,3)4;1-2/h5-7H2,1-4H3;1-2H3
InChIKeyMBHDZHFPPVQWBA-UHFFFAOYSA-N
MW222.32 g/mol
LogP4.64
Rot. Bonds4

About 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane

3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane (PubChem CID 144519435) has the molecular formula C12H24F2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane
PubChem CID144519435
Molecular FormulaC12H24F2O
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane
SMILESCC.CCOCCC(=C(F)F)C(C)(C)C
InChIInChI=1S/C10H18F2O.C2H6/c1-5-13-7-6-8(9(11)12)10(2,3)4;1-2/h5-7H2,1-4H3;1-2H3
InChIKeyMBHDZHFPPVQWBA-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluoromethylidene)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 117733372
3-(Difluoromethylidene)-1-methoxy-4-methylpentane
CID 144519449
3-(Difluoromethylidene)-1-ethoxy-4,4-dimethylpentane
CID 144519436
3-(Difluoromethylidene)-1-ethoxypentane
CID 144519441
3-(Difluoromethylidene)-1-ethoxypentane;ethane;propane
CID 144519440

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane?
The IUPAC name of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane (CID 144519435) is 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane.
What is the SMILES notation for 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane?
The canonical SMILES for 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane is CC.CCOCCC(=C(F)F)C(C)(C)C.
What is the InChIKey of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane?
The InChIKey is MBHDZHFPPVQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O.C2H6/c1-5-13-7-6-8(9(11)12)10(2,3)4;1-2/h5-7H2,1-4H3;1-2H3.
What are the key properties of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane?
3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane has a molecular weight of 222.32 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane;ethane is sourced from PubChem (CID 144519435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).