3-methoxy-2-methyl-3-(trifluoromethyl)pentane

C8H15F3O — CID 89341136

IUPAC3-methoxy-2-methyl-3-(trifluoromethyl)pentane
SMILESCCC(OC)(C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-5-7(12-4,6(2)3)8(9,10)11/h6H,5H2,1-4H3
InChIKeyBNZSULWCAHADIZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.00
Rot. Bonds3

About 3-methoxy-2-methyl-3-(trifluoromethyl)pentane

3-methoxy-2-methyl-3-(trifluoromethyl)pentane (PubChem CID 89341136) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methoxy-2-methyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-methoxy-2-methyl-3-(trifluoromethyl)pentane
PubChem CID89341136
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3-methoxy-2-methyl-3-(trifluoromethyl)pentane
SMILESCCC(OC)(C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-5-7(12-4,6(2)3)8(9,10)11/h6H,5H2,1-4H3
InChIKeyBNZSULWCAHADIZ-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-3-(trifluoromethyl)pentane?
The IUPAC name of 3-methoxy-2-methyl-3-(trifluoromethyl)pentane (CID 89341136) is 3-methoxy-2-methyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for 3-methoxy-2-methyl-3-(trifluoromethyl)pentane?
The canonical SMILES for 3-methoxy-2-methyl-3-(trifluoromethyl)pentane is CCC(OC)(C(C)C)C(F)(F)F.
What is the InChIKey of 3-methoxy-2-methyl-3-(trifluoromethyl)pentane?
The InChIKey is BNZSULWCAHADIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-5-7(12-4,6(2)3)8(9,10)11/h6H,5H2,1-4H3.
What are the key properties of 3-methoxy-2-methyl-3-(trifluoromethyl)pentane?
3-methoxy-2-methyl-3-(trifluoromethyl)pentane has a molecular weight of 184.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 89341136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).