3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one

C9H6F6O2 — CID 103309400

IUPAC3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
SMILESCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C9H6F6O2/c1-4-2-3-5(17-4)6(16)7(8(10,11)12)9(13,14)15/h2-3,7H,1H3
InChIKeyRWYNXKUZLJCQSO-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.51
Rot. Bonds2

About 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one (PubChem CID 103309400) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
PubChem CID103309400
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
SMILESCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)o1
InChIInChI=1S/C9H6F6O2/c1-4-2-3-5(17-4)6(16)7(8(10,11)12)9(13,14)15/h2-3,7H,1H3
InChIKeyRWYNXKUZLJCQSO-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one (CID 103309400) is 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one is Cc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)o1.
What is the InChIKey of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is RWYNXKUZLJCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c1-4-2-3-5(17-4)6(16)7(8(10,11)12)9(13,14)15/h2-3,7H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 260.13 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).