1,1,1-trifluoro-4-methoxy-4-methylpentane

C7H13F3O — CID 89465990

IUPAC1,1,1-trifluoro-4-methoxy-4-methylpentane
SMILESCOC(C)(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,11-3)4-5-7(8,9)10/h4-5H2,1-3H3
InChIKeyRERHACJWJWVJGW-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds3

About 1,1,1-trifluoro-4-methoxy-4-methylpentane

1,1,1-trifluoro-4-methoxy-4-methylpentane (PubChem CID 89465990) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-4-methylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-4-methylpentane
PubChem CID89465990
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name1,1,1-trifluoro-4-methoxy-4-methylpentane
SMILESCOC(C)(C)CCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,11-3)4-5-7(8,9)10/h4-5H2,1-3H3
InChIKeyRERHACJWJWVJGW-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.75
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-4-methoxy-4-methylpentane?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-4-methylpentane (CID 89465990) is 1,1,1-trifluoro-4-methoxy-4-methylpentane.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-4-methylpentane?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-4-methylpentane is COC(C)(C)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-4-methylpentane?
The InChIKey is RERHACJWJWVJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-6(2,11-3)4-5-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-4-methylpentane?
1,1,1-trifluoro-4-methoxy-4-methylpentane has a molecular weight of 170.17 g/mol, XLogP of 2.75, 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-4-methoxy-4-methylpentane is sourced from PubChem (CID 89465990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).