3-(dimethoxymethyl)-2,2-difluoropentane

C8H16F2O2 — CID 173353796

IUPAC3-(dimethoxymethyl)-2,2-difluoropentane
SMILESCCC(C(OC)OC)C(C)(F)F
InChIInChI=1S/C8H16F2O2/c1-5-6(8(2,9)10)7(11-3)12-4/h6-7H,5H2,1-4H3
InChIKeyXPNRPIYRPGWUJX-UHFFFAOYSA-N
MW182.21 g/mol
LogP2.29
Rot. Bonds5

About 3-(dimethoxymethyl)-2,2-difluoropentane

3-(dimethoxymethyl)-2,2-difluoropentane (PubChem CID 173353796) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-2,2-difluoropentane.

Molecular Properties

Compound Name3-(dimethoxymethyl)-2,2-difluoropentane
PubChem CID173353796
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name3-(dimethoxymethyl)-2,2-difluoropentane
SMILESCCC(C(OC)OC)C(C)(F)F
InChIInChI=1S/C8H16F2O2/c1-5-6(8(2,9)10)7(11-3)12-4/h6-7H,5H2,1-4H3
InChIKeyXPNRPIYRPGWUJX-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 52.29
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 3-(dimethoxymethyl)-2,2-difluoropentane?
The IUPAC name of 3-(dimethoxymethyl)-2,2-difluoropentane (CID 173353796) is 3-(dimethoxymethyl)-2,2-difluoropentane.
What is the SMILES notation for 3-(dimethoxymethyl)-2,2-difluoropentane?
The canonical SMILES for 3-(dimethoxymethyl)-2,2-difluoropentane is CCC(C(OC)OC)C(C)(F)F.
What is the InChIKey of 3-(dimethoxymethyl)-2,2-difluoropentane?
The InChIKey is XPNRPIYRPGWUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-5-6(8(2,9)10)7(11-3)12-4/h6-7H,5H2,1-4H3.
What are the key properties of 3-(dimethoxymethyl)-2,2-difluoropentane?
3-(dimethoxymethyl)-2,2-difluoropentane has a molecular weight of 182.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-2,2-difluoropentane is sourced from PubChem (CID 173353796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).