1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane

C6H8F6O — CID 59734886

IUPAC1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane
SMILESCCC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-3-4(13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyBYLCIHCDEAJQPN-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.91
Rot. Bonds2

About 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane

1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane (PubChem CID 59734886) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane
PubChem CID59734886
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane
SMILESCCC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-3-4(13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyBYLCIHCDEAJQPN-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane (CID 59734886) is 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane is CCC(OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane?
The InChIKey is BYLCIHCDEAJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-3-4(13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane?
1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)butane has a molecular weight of 210.12 g/mol, XLogP of 2.91, 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-(trifluoromethyl)butane is sourced from PubChem (CID 59734886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).