1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane

C9H17F3O — CID 88864766

IUPAC1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane
SMILESCOC(C)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-7(2,3)6-8(4,13-5)9(10,11)12/h6H2,1-5H3
InChIKeyLAFUPIVWKNSAGR-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.39
Rot. Bonds2

About 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane

1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane (PubChem CID 88864766) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane
PubChem CID88864766
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane
SMILESCOC(C)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-7(2,3)6-8(4,13-5)9(10,11)12/h6H2,1-5H3
InChIKeyLAFUPIVWKNSAGR-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-2,4,4-trimethylpentane
CID 552215
3-Fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
CID 58548692
3-Fluoro-3-methoxy-2,2,4,4-tetramethylpentane
CID 58548722
2,2,4,4-Tetramethyl-3-(trifluoromethoxy)pentane
CID 58548733
2,4,4-Trimethyl-1-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethoxymethyl)pentane
CID 88557172
1,1,1-Trifluoro-2-methoxy-2-methylpentane
CID 88864764
3-Fluoro-3-methoxy-2,2-dimethylpentane
CID 88871756
(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane
CID 89116872
1,1,1-Trifluoro-4-methoxy-4-methylpentane
CID 89465990
2-(Difluoromethoxy)-2,3,3-trimethylpentane
CID 89703130
1,1-Difluoro-2,2-dimethyl-1-(2-methylbutan-2-yloxy)butane
CID 89856479
2,2-Difluoro-4-methoxy-4-methylpentane
CID 90221973

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane (CID 88864766) is 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane is COC(C)(CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane?
The InChIKey is LAFUPIVWKNSAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-7(2,3)6-8(4,13-5)9(10,11)12/h6H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane?
1,1,1-trifluoro-2-methoxy-2,4,4-trimethylpentane has a molecular weight of 198.23 g/mol, XLogP of 3.39, 2 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-methoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 88864766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).