2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

C13H18F10O — CID 89135339

IUPAC2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(CC(F)(F)F)OC(F)(F)C(F)(C(F)(F)F)C(C)(F)CC
InChIInChI=1S/C13H18F10O/c1-5-8(3,7-10(15,16)17)24-13(22,23)11(18,12(19,20)21)9(4,14)6-2/h5-7H2,1-4H3
InChIKeyMFFWGYPUDNPACB-UHFFFAOYSA-N
MW380.27 g/mol
LogP6.13
Rot. Bonds7

About 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (PubChem CID 89135339) has the molecular formula C13H18F10O and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
PubChem CID89135339
Molecular FormulaC13H18F10O
Molecular Weight380.27 g/mol
Exact Mass380.12
IUPAC Name2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(CC(F)(F)F)OC(F)(F)C(F)(C(F)(F)F)C(C)(F)CC
InChIInChI=1S/C13H18F10O/c1-5-8(3,7-10(15,16)17)24-13(22,23)11(18,12(19,20)21)9(4,14)6-2/h5-7H2,1-4H3
InChIKeyMFFWGYPUDNPACB-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane with MolForge

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Related Compounds

2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88866206
2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane
CID 175373281
2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane
CID 118228733
1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492085
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
1,1,1,2,3-pentafluoro-2,3-dimethylpentane
CID 88907559
1,1,2,2,3,3,4-heptafluoro-4-methyl-1-(1,1,1,2,2-pentafluoro-3-methylpentan-3-yl)oxyhexane
CID 118422545
2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
CID 105452014
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
1,1,1-trichloro-2-fluoro-2-methylbutane
CID 88824769
2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane
CID 134576174

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The IUPAC name of 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (CID 89135339) is 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.
What is the SMILES notation for 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The canonical SMILES for 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is CCC(C)(CC(F)(F)F)OC(F)(F)C(F)(C(F)(F)F)C(C)(F)CC.
What is the InChIKey of 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The InChIKey is MFFWGYPUDNPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F10O/c1-5-8(3,7-10(15,16)17)24-13(22,23)11(18,12(19,20)21)9(4,14)6-2/h5-7H2,1-4H3.
What are the key properties of 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane has a molecular weight of 380.27 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is sourced from PubChem (CID 89135339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).