2,2,3-trifluoro-3-methoxybutane

C5H9F3O — CID 23594555

IUPAC2,2,3-trifluoro-3-methoxybutane
SMILESCOC(C)(F)C(C)(F)F
InChIInChI=1S/C5H9F3O/c1-4(6,7)5(2,8)9-3/h1-3H3
InChIKeyPUXBSNBKHFSCIE-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.97
Rot. Bonds2

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

2,2,3-trifluoro-3-methoxybutane (PubChem CID 23594555) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-methoxybutane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-methoxybutane
PubChem CID23594555
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name2,2,3-trifluoro-3-methoxybutane
SMILESCOC(C)(F)C(C)(F)F
InChIInChI=1S/C5H9F3O/c1-4(6,7)5(2,8)9-3/h1-3H3
InChIKeyPUXBSNBKHFSCIE-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-methoxybutane?
The IUPAC name of 2,2,3-trifluoro-3-methoxybutane (CID 23594555) is 2,2,3-trifluoro-3-methoxybutane.
What is the SMILES notation for 2,2,3-trifluoro-3-methoxybutane?
The canonical SMILES for 2,2,3-trifluoro-3-methoxybutane is COC(C)(F)C(C)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-methoxybutane?
The InChIKey is PUXBSNBKHFSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-4(6,7)5(2,8)9-3/h1-3H3.
What are the key properties of 2,2,3-trifluoro-3-methoxybutane?
2,2,3-trifluoro-3-methoxybutane has a molecular weight of 142.12 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-methoxybutane is sourced from PubChem (CID 23594555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).