2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane

C14H24F6O — CID 90746954

IUPAC2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane
SMILESCCC(C)OC(C(F)(F)F)(C(F)(F)F)C(C)(CC)C(C)C
InChIInChI=1S/C14H24F6O/c1-7-10(5)21-12(13(15,16)17,14(18,19)20)11(6,8-2)9(3)4/h9-10H,7-8H2,1-6H3
InChIKeyMDVCOQJVNPOICC-UHFFFAOYSA-N
MW322.33 g/mol
LogP5.74
Rot. Bonds6

About 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane

2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane (PubChem CID 90746954) has the molecular formula C14H24F6O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane
PubChem CID90746954
Molecular FormulaC14H24F6O
Molecular Weight322.33 g/mol
Exact Mass322.17
IUPAC Name2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane
SMILESCCC(C)OC(C(F)(F)F)(C(F)(F)F)C(C)(CC)C(C)C
InChIInChI=1S/C14H24F6O/c1-7-10(5)21-12(13(15,16)17,14(18,19)20)11(6,8-2)9(3)4/h9-10H,7-8H2,1-6H3
InChIKeyMDVCOQJVNPOICC-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.33
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-methyl-3-propan-2-ylpentane
CID 19761966
3-Fluoro-2,2,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]pentane
CID 57890233
3-Ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane
CID 58275076
(3R)-3-(difluoromethoxymethyl)-2,2-dimethylpentane
CID 58573116
3-(Difluoromethoxymethyl)-2,2-dimethylpentane
CID 58573327
(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
2-(Difluoromethoxy)-4-methyl-3-propan-2-ylpentane
CID 59610850
2,3-Dimethyl-4,4-bis(trifluoromethyl)oxolane
CID 88538630
2-(Difluoromethoxy)-3,4-dimethylpentane
CID 88545445
3-Ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane
CID 88936043
2,2,3,5,5-Pentamethyl-4-(trifluoromethoxy)hexane
CID 88936210

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane?
The IUPAC name of 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane (CID 90746954) is 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane.
What is the SMILES notation for 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane?
The canonical SMILES for 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane is CCC(C)OC(C(F)(F)F)(C(F)(F)F)C(C)(CC)C(C)C.
What is the InChIKey of 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane?
The InChIKey is MDVCOQJVNPOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6O/c1-7-10(5)21-12(13(15,16)17,14(18,19)20)11(6,8-2)9(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane?
2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane has a molecular weight of 322.33 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane is sourced from PubChem (CID 90746954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).