5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one

C12H7F3O2 — CID 68555951

IUPAC5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one
SMILESO=C1C=CC(=Cc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-8(2-4-9)7-10-5-6-11(16)17-10/h1-7H
InChIKeyNILHUCXTMACCPN-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.16
Rot. Bonds1

About 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one

5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one (PubChem CID 68555951) has the molecular formula C12H7F3O2 and a molecular weight of 240.18 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one
PubChem CID68555951
Molecular FormulaC12H7F3O2
Molecular Weight240.18 g/mol
Exact Mass240.04
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one
SMILESO=C1C=CC(=Cc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-8(2-4-9)7-10-5-6-11(16)17-10/h1-7H
InChIKeyNILHUCXTMACCPN-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one (CID 68555951) is 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one is O=C1C=CC(=Cc2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The InChIKey is NILHUCXTMACCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-8(2-4-9)7-10-5-6-11(16)17-10/h1-7H.
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one has a molecular weight of 240.18 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one is sourced from PubChem (CID 68555951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).