(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one

C19H13F3O2 — CID 24861990

IUPAC(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one
SMILESO=C1O/C(=C\c2cccc(C(F)(F)F)c2)C=C1Cc1ccccc1
InChIInChI=1S/C19H13F3O2/c20-19(21,22)16-8-4-7-14(10-16)11-17-12-15(18(23)24-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-
InChIKeySWIGUBIHDGIANX-BOPFTXTBSA-N
MW330.31 g/mol
LogP4.77
Rot. Bonds3

About (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one

(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one (PubChem CID 24861990) has the molecular formula C19H13F3O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one
PubChem CID24861990
Molecular FormulaC19H13F3O2
Molecular Weight330.31 g/mol
Exact Mass330.09
IUPAC Name(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one
SMILESO=C1O/C(=C\c2cccc(C(F)(F)F)c2)C=C1Cc1ccccc1
InChIInChI=1S/C19H13F3O2/c20-19(21,22)16-8-4-7-14(10-16)11-17-12-15(18(23)24-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-
InChIKeySWIGUBIHDGIANX-BOPFTXTBSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 1361730
2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 85256405
(4E)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 121002509
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126251684
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
CID 164599486
(2Z,6E)-4-methyl-2,6-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one
CID 2329911
(5Z)-3-(3-fluoro-4-phenylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]oxolane-2,4-dione
CID 11611610

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The IUPAC name of (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one (CID 24861990) is (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one is O=C1O/C(=C\c2cccc(C(F)(F)F)c2)C=C1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The InChIKey is SWIGUBIHDGIANX-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H13F3O2/c20-19(21,22)16-8-4-7-14(10-16)11-17-12-15(18(23)24-17)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2/b17-11-.
What are the key properties of (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one?
(5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one has a molecular weight of 330.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[3-(trifluoromethyl)phenyl]methylidene]furan-2-one is sourced from PubChem (CID 24861990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).