1-(1,1-difluoropropoxy)-4-methylhexane

C10H20F2O — CID 173466738

IUPAC1-(1,1-difluoropropoxy)-4-methylhexane
SMILESCCC(C)CCCOC(F)(F)CC
InChIInChI=1S/C10H20F2O/c1-4-9(3)7-6-8-13-10(11,12)5-2/h9H,4-8H2,1-3H3
InChIKeyDXSHTFTZTGNOQF-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.83
Rot. Bonds7

About 1-(1,1-difluoropropoxy)-4-methylhexane

1-(1,1-difluoropropoxy)-4-methylhexane (PubChem CID 173466738) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(1,1-difluoropropoxy)-4-methylhexane.

Molecular Properties

Compound Name1-(1,1-difluoropropoxy)-4-methylhexane
PubChem CID173466738
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name1-(1,1-difluoropropoxy)-4-methylhexane
SMILESCCC(C)CCCOC(F)(F)CC
InChIInChI=1S/C10H20F2O/c1-4-9(3)7-6-8-13-10(11,12)5-2/h9H,4-8H2,1-3H3
InChIKeyDXSHTFTZTGNOQF-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.83
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-difluoropropoxy)-4-methylhexane?
The IUPAC name of 1-(1,1-difluoropropoxy)-4-methylhexane (CID 173466738) is 1-(1,1-difluoropropoxy)-4-methylhexane.
What is the SMILES notation for 1-(1,1-difluoropropoxy)-4-methylhexane?
The canonical SMILES for 1-(1,1-difluoropropoxy)-4-methylhexane is CCC(C)CCCOC(F)(F)CC.
What is the InChIKey of 1-(1,1-difluoropropoxy)-4-methylhexane?
The InChIKey is DXSHTFTZTGNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-4-9(3)7-6-8-13-10(11,12)5-2/h9H,4-8H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropoxy)-4-methylhexane?
1-(1,1-difluoropropoxy)-4-methylhexane has a molecular weight of 194.26 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropoxy)-4-methylhexane is sourced from PubChem (CID 173466738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).