1,1-diethoxy-3,3-difluoropropane

C7H14F2O2 — CID 15908651

IUPAC1,1-diethoxy-3,3-difluoropropane
SMILESCCOC(CC(F)F)OCC
InChIInChI=1S/C7H14F2O2/c1-3-10-7(11-4-2)5-6(8)9/h6-7H,3-5H2,1-2H3
InChIKeyHQADMUOKGWDIIP-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.04
Rot. Bonds6

About 1,1-diethoxy-3,3-difluoropropane

1,1-diethoxy-3,3-difluoropropane (PubChem CID 15908651) has the molecular formula C7H14F2O2 and a molecular weight of 168.18 g/mol. Its IUPAC name is 1,1-diethoxy-3,3-difluoropropane.

Molecular Properties

Compound Name1,1-diethoxy-3,3-difluoropropane
PubChem CID15908651
Molecular FormulaC7H14F2O2
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Name1,1-diethoxy-3,3-difluoropropane
SMILESCCOC(CC(F)F)OCC
InChIInChI=1S/C7H14F2O2/c1-3-10-7(11-4-2)5-6(8)9/h6-7H,3-5H2,1-2H3
InChIKeyHQADMUOKGWDIIP-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3,3-difluoropropane?
The IUPAC name of 1,1-diethoxy-3,3-difluoropropane (CID 15908651) is 1,1-diethoxy-3,3-difluoropropane.
What is the SMILES notation for 1,1-diethoxy-3,3-difluoropropane?
The canonical SMILES for 1,1-diethoxy-3,3-difluoropropane is CCOC(CC(F)F)OCC.
What is the InChIKey of 1,1-diethoxy-3,3-difluoropropane?
The InChIKey is HQADMUOKGWDIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O2/c1-3-10-7(11-4-2)5-6(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,1-diethoxy-3,3-difluoropropane?
1,1-diethoxy-3,3-difluoropropane has a molecular weight of 168.18 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3,3-difluoropropane is sourced from PubChem (CID 15908651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).