(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one

C13H9FO2 — CID 11550283

IUPAC(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7-
InChIKeyBGWADTFLQQUACM-FPLPWBNLSA-N
MW216.21 g/mol
LogP3.31
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one

(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 11550283) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID11550283
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7-
InChIKeyBGWADTFLQQUACM-FPLPWBNLSA-N
XLogP3.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(E)-3-(furan-2-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842503
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
(E)-1-[4-[3-[2-(4-fluorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 175461346
1-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 75093801
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
4-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-4-oxobutanoic acid
CID 19057264
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 11550283) is (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C\c1ccco1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is BGWADTFLQQUACM-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7-.
What are the key properties of (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one?
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 216.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 11550283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).