1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane

C8H16F2O2 — CID 58422617

IUPAC1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane
SMILESCOCCCOC(F)(F)C(C)C
InChIInChI=1S/C8H16F2O2/c1-7(2)8(9,10)12-6-4-5-11-3/h7H,4-6H2,1-3H3
InChIKeyFIFFRFQKUNRMJP-UHFFFAOYSA-N
MW182.21 g/mol
LogP2.29
Rot. Bonds6

About 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane

1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane (PubChem CID 58422617) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane.

Molecular Properties

Compound Name1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane
PubChem CID58422617
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane
SMILESCOCCCOC(F)(F)C(C)C
InChIInChI=1S/C8H16F2O2/c1-7(2)8(9,10)12-6-4-5-11-3/h7H,4-6H2,1-3H3
InChIKeyFIFFRFQKUNRMJP-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane?
The IUPAC name of 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane (CID 58422617) is 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane.
What is the SMILES notation for 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane?
The canonical SMILES for 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane is COCCCOC(F)(F)C(C)C.
What is the InChIKey of 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane?
The InChIKey is FIFFRFQKUNRMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-7(2)8(9,10)12-6-4-5-11-3/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane?
1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane has a molecular weight of 182.21 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(3-methoxypropoxy)-2-methylpropane is sourced from PubChem (CID 58422617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).