1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane

C10H20F2O — CID 58422609

IUPAC1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane
SMILESCC(C)CCCOC(F)(F)C(C)C
InChIInChI=1S/C10H20F2O/c1-8(2)6-5-7-13-10(11,12)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyWYDKVKCXYHFSSY-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.69
Rot. Bonds6

About 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane

1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane (PubChem CID 58422609) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane
PubChem CID58422609
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane
SMILESCC(C)CCCOC(F)(F)C(C)C
InChIInChI=1S/C10H20F2O/c1-8(2)6-5-7-13-10(11,12)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyWYDKVKCXYHFSSY-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,1-difluoro-2-methylpropoxy)-4-methylpentane?
The IUPAC name of 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane (CID 58422609) is 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane.
What is the SMILES notation for 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane?
The canonical SMILES for 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane is CC(C)CCCOC(F)(F)C(C)C.
What is the InChIKey of 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane?
The InChIKey is WYDKVKCXYHFSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-8(2)6-5-7-13-10(11,12)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane?
1-(1,1-difluoro-2-methylpropoxy)-4-methylpentane has a molecular weight of 194.26 g/mol, XLogP of 3.69, 6 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)-4-methylpentane is sourced from PubChem (CID 58422609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).