1,3,3-trifluoro-2-methoxybutane

C5H9F3O — CID 54540168

IUPAC1,3,3-trifluoro-2-methoxybutane
SMILESCOC(CF)C(C)(F)F
InChIInChI=1S/C5H9F3O/c1-5(7,8)4(3-6)9-2/h4H,3H2,1-2H3
InChIKeyZCPFLQRTZJHTQM-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.63
Rot. Bonds3

About 1,3,3-trifluoro-2-methoxybutane

1,3,3-trifluoro-2-methoxybutane (PubChem CID 54540168) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,3,3-trifluoro-2-methoxybutane.

Molecular Properties

Compound Name1,3,3-trifluoro-2-methoxybutane
PubChem CID54540168
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1,3,3-trifluoro-2-methoxybutane
SMILESCOC(CF)C(C)(F)F
InChIInChI=1S/C5H9F3O/c1-5(7,8)4(3-6)9-2/h4H,3H2,1-2H3
InChIKeyZCPFLQRTZJHTQM-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoro-2-methoxybutane?
The IUPAC name of 1,3,3-trifluoro-2-methoxybutane (CID 54540168) is 1,3,3-trifluoro-2-methoxybutane.
What is the SMILES notation for 1,3,3-trifluoro-2-methoxybutane?
The canonical SMILES for 1,3,3-trifluoro-2-methoxybutane is COC(CF)C(C)(F)F.
What is the InChIKey of 1,3,3-trifluoro-2-methoxybutane?
The InChIKey is ZCPFLQRTZJHTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-5(7,8)4(3-6)9-2/h4H,3H2,1-2H3.
What are the key properties of 1,3,3-trifluoro-2-methoxybutane?
1,3,3-trifluoro-2-methoxybutane has a molecular weight of 142.12 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoro-2-methoxybutane is sourced from PubChem (CID 54540168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).