1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane

C9H14F6O — CID 159890028

IUPAC1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane
SMILESCC(C)CC(C)(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-6(2)4-7(3,9(13,14)15)16-5-8(10,11)12/h6H,4-5H2,1-3H3
InChIKeyNUQCMGSNZOMXOF-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.93
Rot. Bonds4

About 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane

1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane (PubChem CID 159890028) has the molecular formula C9H14F6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane
PubChem CID159890028
Molecular FormulaC9H14F6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane
SMILESCC(C)CC(C)(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-6(2)4-7(3,9(13,14)15)16-5-8(10,11)12/h6H,4-5H2,1-3H3
InChIKeyNUQCMGSNZOMXOF-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730
(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane
CID 169306079
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62353424
6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 144649241
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 83831473
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
CID 140695976
1,1,1,2,2,4,4,5,5,5-decafluoro-3,3-bis(2,2,2-trifluoroethoxy)pentane
CID 10072322

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane (CID 159890028) is 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane is CC(C)CC(C)(OCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is NUQCMGSNZOMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O/c1-6(2)4-7(3,9(13,14)15)16-5-8(10,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane?
1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 252.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 159890028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).