2-methyl-4-(trifluoromethyl)furan-3-one

C6H5F3O2 — CID 67880344

IUPAC2-methyl-4-(trifluoromethyl)furan-3-one
SMILESCC1OC=C(C(F)(F)F)C1=O
InChIInChI=1S/C6H5F3O2/c1-3-5(10)4(2-11-3)6(7,8)9/h2-3H,1H3
InChIKeyHVJDMYINZDQAPC-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.42
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)furan-3-one

2-methyl-4-(trifluoromethyl)furan-3-one (PubChem CID 67880344) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)furan-3-one.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)furan-3-one
PubChem CID67880344
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name2-methyl-4-(trifluoromethyl)furan-3-one
SMILESCC1OC=C(C(F)(F)F)C1=O
InChIInChI=1S/C6H5F3O2/c1-3-5(10)4(2-11-3)6(7,8)9/h2-3H,1H3
InChIKeyHVJDMYINZDQAPC-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)furan-3-one?
The IUPAC name of 2-methyl-4-(trifluoromethyl)furan-3-one (CID 67880344) is 2-methyl-4-(trifluoromethyl)furan-3-one.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)furan-3-one?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)furan-3-one is CC1OC=C(C(F)(F)F)C1=O.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)furan-3-one?
The InChIKey is HVJDMYINZDQAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c1-3-5(10)4(2-11-3)6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)furan-3-one?
2-methyl-4-(trifluoromethyl)furan-3-one has a molecular weight of 166.10 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)furan-3-one is sourced from PubChem (CID 67880344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).