2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane

C10H19F3O — CID 58548733

IUPAC2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
SMILESCC(C)(C)C(OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3O/c1-8(2,3)7(9(4,5)6)14-10(11,12)13/h7H,1-6H3
InChIKeyKYRZBVQEUHFFCI-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.98
Rot. Bonds1

About 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane

2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane (PubChem CID 58548733) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
PubChem CID58548733
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
SMILESCC(C)(C)C(OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3O/c1-8(2,3)7(9(4,5)6)14-10(11,12)13/h7H,1-6H3
InChIKeyKYRZBVQEUHFFCI-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane
CID 57104099
1,1,1-Trifluoro-2-methoxy-3,3-dimethylbutane
CID 58305910
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-Trimethyl-3-(trifluoromethoxy)pentane
CID 58548766
1,1,1,3,3-Pentafluoro-4-(fluoromethoxy)-2,2-dimethylhexane
CID 60058122
(3S)-2,2-dimethyl-3-(trifluoromethoxy)butane
CID 60139779
2,2,5,5-Tetramethyl-3-(2,2,2-trifluoroethoxy)hexane
CID 88574121
1,1,1-Trifluoro-2-methoxy-2,4,4-trimethylpentane
CID 88864766
3-Fluoro-3-methoxy-2,2-dimethylpentane
CID 88871756
2,2,3,5,5-Pentamethyl-4-(trifluoromethoxy)hexane
CID 88936210
2-(2,2-Dimethylpropoxy)-1,1,1-trifluoro-3,3-dimethylbutane
CID 89819531

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
The IUPAC name of 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane (CID 58548733) is 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
The canonical SMILES for 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane is CC(C)(C)C(OC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
The InChIKey is KYRZBVQEUHFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-8(2,3)7(9(4,5)6)14-10(11,12)13/h7H,1-6H3.
What are the key properties of 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane has a molecular weight of 212.25 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane is sourced from PubChem (CID 58548733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).