3-methoxy-3-(trifluoromethyl)pentane

C7H13F3O — CID 89347830

IUPAC3-methoxy-3-(trifluoromethyl)pentane
SMILESCCC(CC)(OC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-4-6(5-2,11-3)7(8,9)10/h4-5H2,1-3H3
InChIKeyHOBSULAKHNKENM-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds3

About 3-methoxy-3-(trifluoromethyl)pentane

3-methoxy-3-(trifluoromethyl)pentane (PubChem CID 89347830) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)pentane
PubChem CID89347830
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name3-methoxy-3-(trifluoromethyl)pentane
SMILESCCC(CC)(OC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-4-6(5-2,11-3)7(8,9)10/h4-5H2,1-3H3
InChIKeyHOBSULAKHNKENM-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 3-methoxy-3-(trifluoromethyl)pentane?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)pentane (CID 89347830) is 3-methoxy-3-(trifluoromethyl)pentane.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)pentane?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)pentane is CCC(CC)(OC)C(F)(F)F.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)pentane?
The InChIKey is HOBSULAKHNKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-4-6(5-2,11-3)7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)pentane?
3-methoxy-3-(trifluoromethyl)pentane 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 3-methoxy-3-(trifluoromethyl)pentane is sourced from PubChem (CID 89347830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).