1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane

C12H21F5O2 — CID 87668658

IUPAC1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane
SMILESCCC(C)(CCOC(C)CC(F)F)OC(F)(F)CF
InChIInChI=1S/C12H21F5O2/c1-4-11(3,19-12(16,17)8-13)5-6-18-9(2)7-10(14)15/h9-10H,4-8H2,1-3H3
InChIKeyFMDFTLSZFRFDLL-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.18
Rot. Bonds10

About 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane

1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane (PubChem CID 87668658) has the molecular formula C12H21F5O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane
PubChem CID87668658
Molecular FormulaC12H21F5O2
Molecular Weight292.29 g/mol
Exact Mass292.15
IUPAC Name1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane
SMILESCCC(C)(CCOC(C)CC(F)F)OC(F)(F)CF
InChIInChI=1S/C12H21F5O2/c1-4-11(3,19-12(16,17)8-13)5-6-18-9(2)7-10(14)15/h9-10H,4-8H2,1-3H3
InChIKeyFMDFTLSZFRFDLL-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane
CID 19761929
(2R,3R)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 59287953
(2S,3S)-1,1,1-trifluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 59287981
1-(3,3-Difluoro-2-methylbutan-2-yl)oxy-1,1,2,2-tetrafluoro-3-methoxy-3-methylbutane
CID 88557552
2-[Difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88557571
2-[Difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88907626
1-Butan-2-yloxy-3-(difluoromethylperoxy)-3-methylbutane
CID 88988205
3-Methyl-3-(3,3,4,4-tetrafluoropentoxy)pentane
CID 89565528
1,1,1,2-Tetrafluoro-2-(methoxymethyl)-3-methyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]pentane
CID 117743318
1-Butan-2-yloxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane
CID 117749530
1,1,2,2-Tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane
CID 118026664
1-[2-(Butoxymethyl)-1,1,1,2-tetrafluoro-3-methylpentan-3-yl]oxy-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)pentane
CID 118228737

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane?
The IUPAC name of 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane (CID 87668658) is 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane?
The canonical SMILES for 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane is CCC(C)(CCOC(C)CC(F)F)OC(F)(F)CF.
What is the InChIKey of 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane?
The InChIKey is FMDFTLSZFRFDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F5O2/c1-4-11(3,19-12(16,17)8-13)5-6-18-9(2)7-10(14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane?
1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane has a molecular weight of 292.29 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutan-2-yloxy)-3-methyl-3-(1,1,2-trifluoroethoxy)pentane is sourced from PubChem (CID 87668658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).