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

C10H18F4O — CID 58548692

IUPAC3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
SMILESCC(C)(C)C(F)(OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H18F4O/c1-7(2,3)9(11,8(4,5)6)15-10(12,13)14/h1-6H3
InChIKeyNQJNBLKOKBEMAX-UHFFFAOYSA-N
MW230.24 g/mol
LogP4.28
Rot. Bonds1

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

3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane (PubChem CID 58548692) has the molecular formula C10H18F4O and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
PubChem CID58548692
Molecular FormulaC10H18F4O
Molecular Weight230.24 g/mol
Exact Mass230.13
IUPAC Name3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
SMILESCC(C)(C)C(F)(OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H18F4O/c1-7(2,3)9(11,8(4,5)6)15-10(12,13)14/h1-6H3
InChIKeyNQJNBLKOKBEMAX-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-3-methoxy-2,2,4,4-tetramethylpentane
CID 58548722
2,2,4,4-Tetramethyl-3-(trifluoromethoxy)pentane
CID 58548733
3-(2,3-Difluoro-2-methylpentan-3-yl)oxy-2,3-difluoro-2-methylpentane
CID 87189323
2-(Difluoromethyl)-3-[3-(difluoromethyl)-1,1,1,2,4,4,4-heptafluoro-3-methylbutan-2-yl]oxy-1,1,1,3,4,4,4-heptafluoro-2-methylbutane
CID 87791070
1,1,1-Trifluoro-2-methoxy-2,4,4-trimethylpentane
CID 88864766
2-(1,1-Difluoro-2,2-dimethylpropoxy)-2-fluoro-3,3-dimethylbutane
CID 88870739
3-Fluoro-3-methoxy-2,2-dimethylpentane
CID 88871756
1,1-Difluoro-2,2,3-trimethyl-3-(1,1,1,2-tetrafluoropropan-2-yloxy)pentane
CID 118258370
3-(1,1-Difluoroethoxy)-1,1-difluoro-2,2,3-trimethylpentane
CID 121480982
1,1,1,2,3,3-Hexafluoro-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 123587531
1,1,1,2,3,3-Hexafluoro-2-(3,3,4,4,5,5,5-heptafluoro-2-methylpentan-2-yl)oxy-4,4-dimethylpentane
CID 126760348
1,1,2,2,3,3-Hexafluoro-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 132096073

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
The IUPAC name of 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane (CID 58548692) is 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane.
What is the SMILES notation for 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
The canonical SMILES for 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane is CC(C)(C)C(F)(OC(F)(F)F)C(C)(C)C.
What is the InChIKey of 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
The InChIKey is NQJNBLKOKBEMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O/c1-7(2,3)9(11,8(4,5)6)15-10(12,13)14/h1-6H3.
What are the key properties of 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane?
3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane has a molecular weight of 230.24 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane is sourced from PubChem (CID 58548692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).