1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane

C11H20F4O — CID 175617728

IUPAC1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane
SMILESCC(F)CCOC(C)(C)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H20F4O/c1-8(12)6-7-16-10(4,5)9(2,3)11(13,14)15/h8H,6-7H2,1-5H3
InChIKeyHKJBZBWQDQZMJG-UHFFFAOYSA-N
MW244.27 g/mol
LogP4.12
Rot. Bonds5

About 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane

1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane (PubChem CID 175617728) has the molecular formula C11H20F4O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane
PubChem CID175617728
Molecular FormulaC11H20F4O
Molecular Weight244.27 g/mol
Exact Mass244.15
IUPAC Name1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane
SMILESCC(F)CCOC(C)(C)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H20F4O/c1-8(12)6-7-16-10(4,5)9(2,3)11(13,14)15/h8H,6-7H2,1-5H3
InChIKeyHKJBZBWQDQZMJG-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 54.12
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
2-Fluoro-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 57890200
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane
CID 57915811
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-2-(methoxymethyl)butane
CID 57915853
1-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-2-methylbutane
CID 57915859
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
2,2,3-Trimethyl-3-(2,2,2-trifluoroethoxy)butane
CID 59722682
2,2-Dimethyl-1-(1,1,2,2-tetrafluoroethoxy)butane
CID 88327287
1-(3,3-Difluorobutan-2-yloxy)-1,1-difluoro-2,2,3-trimethyl-3-(1,1,2,2-tetrafluoro-3-methoxybutoxy)butane
CID 88866204
3-Ethyl-1,1,1,2-tetrafluoro-4-(1,1,2,2,3,3-hexafluoropropoxy)-3,4-dimethylpentane
CID 88936043
3-(Difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 89343999
1-(1,1-Difluoro-2-methylpropan-2-yl)oxy-1,1-difluoro-2,2,3-trimethylbutane
CID 89375556

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane?
The IUPAC name of 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane (CID 175617728) is 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane?
The canonical SMILES for 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane is CC(F)CCOC(C)(C)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane?
The InChIKey is HKJBZBWQDQZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4O/c1-8(12)6-7-16-10(4,5)9(2,3)11(13,14)15/h8H,6-7H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane?
1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane has a molecular weight of 244.27 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane is sourced from PubChem (CID 175617728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).