methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate

C11H10BrFO2 — CID 135039181

IUPACmethyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1Br)CF
InChIInChI=1S/C11H10BrFO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3/b9-6+
InChIKeyCXSWMRNOTLNCJG-RMKNXTFCSA-N
MW273.10 g/mol
LogP2.97
Rot. Bonds3

About methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate

methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate (PubChem CID 135039181) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate
PubChem CID135039181
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Namemethyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1Br)CF
InChIInChI=1S/C11H10BrFO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3/b9-6+
InChIKeyCXSWMRNOTLNCJG-RMKNXTFCSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate (CID 135039181) is methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate is COC(=O)/C(=C/c1ccccc1Br)CF.
What is the InChIKey of methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate?
The InChIKey is CXSWMRNOTLNCJG-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3/b9-6+.
What are the key properties of methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate?
methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate has a molecular weight of 273.10 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2-bromophenyl)-2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 135039181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).