(4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate

C15H10FIO2 — CID 7924352

IUPAC(4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(F)c1)Oc1ccc(I)cc1
InChIInChI=1S/C15H10FIO2/c16-12-3-1-2-11(10-12)4-9-15(18)19-14-7-5-13(17)6-8-14/h1-10H/b9-4+
InChIKeyBIUJYXBXYFNIMK-RUDMXATFSA-N
MW368.15 g/mol
LogP4.05
Rot. Bonds3

About (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate

(4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 7924352) has the molecular formula C15H10FIO2 and a molecular weight of 368.15 g/mol. Its IUPAC name is (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID7924352
Molecular FormulaC15H10FIO2
Molecular Weight368.15 g/mol
Exact Mass367.97
IUPAC Name(4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(F)c1)Oc1ccc(I)cc1
InChIInChI=1S/C15H10FIO2/c16-12-3-1-2-11(10-12)4-9-15(18)19-14-7-5-13(17)6-8-14/h1-10H/b9-4+
InChIKeyBIUJYXBXYFNIMK-RUDMXATFSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8764606
(3-fluorophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 175109275
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
[2-(methylamino)-2-oxoethyl] 3-(3-fluorophenyl)prop-2-enoate
CID 3394995
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
(4-acetylphenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2666962
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8021224
(E)-1-(2-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 78787194

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate (CID 7924352) is (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate is O=C(/C=C/c1cccc(F)c1)Oc1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is BIUJYXBXYFNIMK-RUDMXATFSA-N. The full InChI is InChI=1S/C15H10FIO2/c16-12-3-1-2-11(10-12)4-9-15(18)19-14-7-5-13(17)6-8-14/h1-10H/b9-4+.
What are the key properties of (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate?
(4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 368.15 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl) (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 7924352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).