1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane

C10H15F7O — CID 59172657

IUPAC1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
SMILESCCC(F)(F)OCCC(C(F)(F)F)C(F)(F)CC
InChIInChI=1S/C10H15F7O/c1-3-8(11,12)7(10(15,16)17)5-6-18-9(13,14)4-2/h7H,3-6H2,1-2H3
InChIKeySBEHBHPOPYGUPE-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.62
Rot. Bonds7

About 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane

1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane (PubChem CID 59172657) has the molecular formula C10H15F7O and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
PubChem CID59172657
Molecular FormulaC10H15F7O
Molecular Weight284.22 g/mol
Exact Mass284.10
IUPAC Name1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
SMILESCCC(F)(F)OCCC(C(F)(F)F)C(F)(F)CC
InChIInChI=1S/C10H15F7O/c1-3-8(11,12)7(10(15,16)17)5-6-18-9(13,14)4-2/h7H,3-6H2,1-2H3
InChIKeySBEHBHPOPYGUPE-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane with MolForge

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Related Compounds

3-(Heptafluoropropyl)oxolane
CID 71345323
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
[Ethoxy(difluoro)methyl]cyclopentane
CID 18725580
1-[Ethoxy(difluoro)methyl]-4-fluorocyclohexane
CID 18731749
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(2-methylpropoxy)heptane
CID 19761917
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-(2-methylpropoxy)heptane
CID 19761922
1,1,1,2,2,3,4,5,6,6,6-Undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
CID 19761923
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
2-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-methyl-3-propan-2-ylpentane
CID 19761966
2,2,3,3,4,4,5,5-Octafluoro-1-(2-methylpropoxy)hexane
CID 19782043
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-(2-methylpropoxy)hexane
CID 19797730

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane?
The IUPAC name of 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane (CID 59172657) is 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane.
What is the SMILES notation for 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane?
The canonical SMILES for 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane is CCC(F)(F)OCCC(C(F)(F)F)C(F)(F)CC.
What is the InChIKey of 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane?
The InChIKey is SBEHBHPOPYGUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O/c1-3-8(11,12)7(10(15,16)17)5-6-18-9(13,14)4-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane?
1-(1,1-difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane has a molecular weight of 284.22 g/mol, XLogP of 4.62, 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)-4,4-difluoro-3-(trifluoromethyl)hexane is sourced from PubChem (CID 59172657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).