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

C7H10F6O — CID 59734874

IUPAC1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane
SMILESCCCC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-4-5(14-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyONJBEPQMRUKKBY-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.30
Rot. Bonds3

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

1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane (PubChem CID 59734874) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane
PubChem CID59734874
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane
SMILESCCCC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-4-5(14-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyONJBEPQMRUKKBY-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
1,1,1,2,2,3,5,5,5-Nonafluoro-3-methoxy-4-(trifluoromethyl)pentane
CID 12656408
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-methylpentane
CID 18798723
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
CID 19761916
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(3-methylbutoxy)pentane
CID 19761941
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane
CID 19761962
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 19761963
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane
CID 19761970

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane (CID 59734874) is 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane is CCCC(OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane?
The InChIKey is ONJBEPQMRUKKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-4-5(14-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane?
1,1,1-trifluoro-2-methoxy-2-(trifluoromethyl)pentane has a molecular weight of 224.14 g/mol, XLogP of 3.30, 3 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)pentane is sourced from PubChem (CID 59734874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).