1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane

C10H16F6O — CID 118217388

IUPAC1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane
SMILESCC(C)OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-6(2)17-8(7(3,4)5,9(11,12)13)10(14,15)16/h6H,1-5H3
InChIKeyCPLQNBQBBNVFSF-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.32
Rot. Bonds2

About 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane

1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane (PubChem CID 118217388) has the molecular formula C10H16F6O and a molecular weight of 266.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane
PubChem CID118217388
Molecular FormulaC10H16F6O
Molecular Weight266.23 g/mol
Exact Mass266.11
IUPAC Name1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane
SMILESCC(C)OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-6(2)17-8(7(3,4)5,9(11,12)13)10(14,15)16/h6H,1-5H3
InChIKeyCPLQNBQBBNVFSF-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.32
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutane
CID 59422982
2,2,3-Trimethyl-3-(2,2,2-trifluoroethoxy)butane
CID 59722682
1,1,1-Trifluoro-3-[4,4,4-trifluoro-3,3-bis(trifluoromethyl)butan-2-yl]oxy-2,2-bis(trifluoromethyl)butane
CID 87791064
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-(Difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 89343999
2-(2,2-Difluoroethoxy)-2,3,3-trimethylbutane
CID 89692276
2-(2-Fluoroethoxy)-2,3,3-trimethylbutane
CID 89692278
2-(2,2-Dimethylpropoxy)-1,1,1-trifluoro-3,3-dimethylbutane
CID 89819531
2-Butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane
CID 90746954
3,3-Dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane
CID 90864280
2,2-Dimethyl-3-(2,2,2-trifluoroethoxy)butane
CID 117705069

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane (CID 118217388) is 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane is CC(C)OC(C(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane?
The InChIKey is CPLQNBQBBNVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O/c1-6(2)17-8(7(3,4)5,9(11,12)13)10(14,15)16/h6H,1-5H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane?
1,1,1-trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane has a molecular weight of 266.23 g/mol, XLogP of 4.32, 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-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane is sourced from PubChem (CID 118217388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).