1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane

C9H18F2O — CID 58422626

IUPAC1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane
SMILESCCC(C)COC(F)(F)C(C)C
InChIInChI=1S/C9H18F2O/c1-5-8(4)6-12-9(10,11)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyPQXBMRDRYZJSNE-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.30
Rot. Bonds5

About 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane

1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane (PubChem CID 58422626) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane
PubChem CID58422626
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane
SMILESCCC(C)COC(F)(F)C(C)C
InChIInChI=1S/C9H18F2O/c1-5-8(4)6-12-9(10,11)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyPQXBMRDRYZJSNE-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane?
The IUPAC name of 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane (CID 58422626) is 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane.
What is the SMILES notation for 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane?
The canonical SMILES for 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane is CCC(C)COC(F)(F)C(C)C.
What is the InChIKey of 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane?
The InChIKey is PQXBMRDRYZJSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-5-8(4)6-12-9(10,11)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane?
1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane has a molecular weight of 180.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methylpropoxy)-2-methylbutane is sourced from PubChem (CID 58422626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).