[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate

C16H12F2O2 — CID 138567323

IUPAC[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C16H12F2O2/c1-10(2)16(19)20-15-8-7-11(9-14(15)18)12-5-3-4-6-13(12)17/h3-9H,1H2,2H3
InChIKeyMOKMPLZCCDKCBR-UHFFFAOYSA-N
MW274.27 g/mol
LogP4.11
Rot. Bonds3

About [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate

[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 138567323) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
PubChem CID138567323
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C16H12F2O2/c1-10(2)16(19)20-15-8-7-11(9-14(15)18)12-5-3-4-6-13(12)17/h3-9H,1H2,2H3
InChIKeyMOKMPLZCCDKCBR-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-4-(2-fluoro-4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 129059905
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[2-fluoro-4-[3-fluoro-4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 139334672
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
[4-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3-methylphenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727535
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]-3-methylsulfanylphenyl] 2-methylprop-2-enoate
CID 160908180
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
[2-fluoro-4-[4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 145261223
[4-[2-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]ethenyl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 123707280

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate (CID 138567323) is [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccccc2F)cc1F.
What is the InChIKey of [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is MOKMPLZCCDKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-10(2)16(19)20-15-8-7-11(9-14(15)18)12-5-3-4-6-13(12)17/h3-9H,1H2,2H3.
What are the key properties of [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate?
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 274.27 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 138567323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).