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

C10H18F2O — CID 144519436

IUPAC3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane
SMILESCCOCCC(=C(F)F)C(C)(C)C
InChIInChI=1S/C10H18F2O/c1-5-13-7-6-8(9(11)12)10(2,3)4/h5-7H2,1-4H3
InChIKeySXIHFCROKNNIDV-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.61
Rot. Bonds4

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

3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane (PubChem CID 144519436) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane
PubChem CID144519436
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane
SMILESCCOCCC(=C(F)F)C(C)(C)C
InChIInChI=1S/C10H18F2O/c1-5-13-7-6-8(9(11)12)10(2,3)4/h5-7H2,1-4H3
InChIKeySXIHFCROKNNIDV-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane?
The IUPAC name of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane (CID 144519436) is 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane.
What is the SMILES notation for 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane?
The canonical SMILES for 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane is CCOCCC(=C(F)F)C(C)(C)C.
What is the InChIKey of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane?
The InChIKey is SXIHFCROKNNIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-5-13-7-6-8(9(11)12)10(2,3)4/h5-7H2,1-4H3.
What are the key properties of 3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane?
3-(difluoromethylidene)-1-ethoxy-4,4-dimethylpentane has a molecular weight of 192.25 g/mol, XLogP of 3.61, 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 is sourced from PubChem (CID 144519436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).