9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate

C22H15FO2 — CID 7485456

IUPAC9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccccc1F)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H15FO2/c23-20-12-6-1-7-15(20)13-14-21(24)25-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-14,22H/b14-13+
InChIKeyIAASIPKJNOVXFN-BUHFOSPRSA-N
MW330.36 g/mol
LogP5.15
Rot. Bonds3

About 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate

9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 7485456) has the molecular formula C22H15FO2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate
PubChem CID7485456
Molecular FormulaC22H15FO2
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccccc1F)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H15FO2/c23-20-12-6-1-7-15(20)13-14-21(24)25-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-14,22H/b14-13+
InChIKeyIAASIPKJNOVXFN-BUHFOSPRSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.15
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

9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872542
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
benzyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 140721856
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 84848856
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(4-cyanophenyl)methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613119
(E)-3-(2-fluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 127043928
4-(2-fluorophenyl)-1-phenylbut-3-ene-1,2-dione
CID 71861127
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 76872152
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7970402

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate (CID 7485456) is 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate is O=C(/C=C/c1ccccc1F)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is IAASIPKJNOVXFN-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H15FO2/c23-20-12-6-1-7-15(20)13-14-21(24)25-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-14,22H/b14-13+.
What are the key properties of 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate?
9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 330.36 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 7485456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).