1,1-diethoxy-4,4-difluorocyclohexane

C10H18F2O2 — CID 154177240

IUPAC1,1-diethoxy-4,4-difluorocyclohexane
SMILESCCOC1(OCC)CCC(F)(F)CC1
InChIInChI=1S/C10H18F2O2/c1-3-13-10(14-4-2)7-5-9(11,12)6-8-10/h3-8H2,1-2H3
InChIKeyOHGRCDKUJSVHAT-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.96
Rot. Bonds4

About 1,1-diethoxy-4,4-difluorocyclohexane

1,1-diethoxy-4,4-difluorocyclohexane (PubChem CID 154177240) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1,1-diethoxy-4,4-difluorocyclohexane.

Molecular Properties

Compound Name1,1-diethoxy-4,4-difluorocyclohexane
PubChem CID154177240
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name1,1-diethoxy-4,4-difluorocyclohexane
SMILESCCOC1(OCC)CCC(F)(F)CC1
InChIInChI=1S/C10H18F2O2/c1-3-13-10(14-4-2)7-5-9(11,12)6-8-10/h3-8H2,1-2H3
InChIKeyOHGRCDKUJSVHAT-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.96
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-4,4-difluorocyclohexane?
The IUPAC name of 1,1-diethoxy-4,4-difluorocyclohexane (CID 154177240) is 1,1-diethoxy-4,4-difluorocyclohexane.
What is the SMILES notation for 1,1-diethoxy-4,4-difluorocyclohexane?
The canonical SMILES for 1,1-diethoxy-4,4-difluorocyclohexane is CCOC1(OCC)CCC(F)(F)CC1.
What is the InChIKey of 1,1-diethoxy-4,4-difluorocyclohexane?
The InChIKey is OHGRCDKUJSVHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-3-13-10(14-4-2)7-5-9(11,12)6-8-10/h3-8H2,1-2H3.
What are the key properties of 1,1-diethoxy-4,4-difluorocyclohexane?
1,1-diethoxy-4,4-difluorocyclohexane has a molecular weight of 208.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-4,4-difluorocyclohexane is sourced from PubChem (CID 154177240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).