(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one

C18H12BrFO2 — CID 23651032

IUPAC(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one
SMILESO=C1O/C(=C\c2ccc(F)cc2)C=C1Cc1ccc(Br)cc1
InChIInChI=1S/C18H12BrFO2/c19-15-5-1-12(2-6-15)9-14-11-17(22-18(14)21)10-13-3-7-16(20)8-4-13/h1-8,10-11H,9H2/b17-10-
InChIKeyQHHPSRWYSSRBGT-YVLHZVERSA-N
MW359.19 g/mol
LogP4.66
Rot. Bonds3

About (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one

(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one (PubChem CID 23651032) has the molecular formula C18H12BrFO2 and a molecular weight of 359.19 g/mol. Its IUPAC name is (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one
PubChem CID23651032
Molecular FormulaC18H12BrFO2
Molecular Weight359.19 g/mol
Exact Mass358.00
IUPAC Name(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one
SMILESO=C1O/C(=C\c2ccc(F)cc2)C=C1Cc1ccc(Br)cc1
InChIInChI=1S/C18H12BrFO2/c19-15-5-1-12(2-6-15)9-14-11-17(22-18(14)21)10-13-3-7-16(20)8-4-13/h1-8,10-11H,9H2/b17-10-
InChIKeyQHHPSRWYSSRBGT-YVLHZVERSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 134846246
4-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 3893187
(5Z)-3-bromo-5-[(4-methylphenyl)methylidene]furan-2-one
CID 15396149
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
CID 132539373
(3E)-5-(4-bromophenyl)-3-[[2-[(4-fluorophenyl)methylamino]phenyl]methylidene]furan-2-one
CID 21216068
1-bromo-4-(ethenylsulfinylmethyl)benzene;1-[[(E)-2-(4-bromophenyl)ethenyl]sulfinylmethyl]-4-fluorobenzene
CID 69363759
(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one
CID 90368733
(1Z,3Z)-1,3-bis[(4-fluorophenyl)methylidene]inden-2-one
CID 2387034
4-[(4-bromophenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 740147
3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one (CID 23651032) is (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one is O=C1O/C(=C\c2ccc(F)cc2)C=C1Cc1ccc(Br)cc1.
What is the InChIKey of (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one?
The InChIKey is QHHPSRWYSSRBGT-YVLHZVERSA-N. The full InChI is InChI=1S/C18H12BrFO2/c19-15-5-1-12(2-6-15)9-14-11-17(22-18(14)21)10-13-3-7-16(20)8-4-13/h1-8,10-11H,9H2/b17-10-.
What are the key properties of (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one?
(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one has a molecular weight of 359.19 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one is sourced from PubChem (CID 23651032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).