methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate

C17H14BrFO2 — CID 71266207

IUPACmethyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(-c3ccc(Br)cc3F)cc2)CC1
InChIInChI=1S/C17H14BrFO2/c1-21-16(20)17(8-9-17)12-4-2-11(3-5-12)14-7-6-13(18)10-15(14)19/h2-7,10H,8-9H2,1H3
InChIKeyODNNUVGHXDISNF-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.46
Rot. Bonds3

About methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate

methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 71266207) has the molecular formula C17H14BrFO2 and a molecular weight of 349.20 g/mol. Its IUPAC name is methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate
PubChem CID71266207
Molecular FormulaC17H14BrFO2
Molecular Weight349.20 g/mol
Exact Mass348.02
IUPAC Namemethyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(-c3ccc(Br)cc3F)cc2)CC1
InChIInChI=1S/C17H14BrFO2/c1-21-16(20)17(8-9-17)12-4-2-11(3-5-12)14-7-6-13(18)10-15(14)19/h2-7,10H,8-9H2,1H3
InChIKeyODNNUVGHXDISNF-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate (CID 71266207) is methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(-c3ccc(Br)cc3F)cc2)CC1.
What is the InChIKey of methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is ODNNUVGHXDISNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO2/c1-21-16(20)17(8-9-17)12-4-2-11(3-5-12)14-7-6-13(18)10-15(14)19/h2-7,10H,8-9H2,1H3.
What are the key properties of methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 349.20 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(4-bromo-2-fluorophenyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71266207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).