cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate

C18H15FO3 — CID 44557655

IUPACcis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H15FO3/c1-22-17(21)18(11-15(18)12-5-3-2-4-6-12)16(20)13-7-9-14(19)10-8-13/h2-10,15H,11H2,1H3/t15-,18-/m1/s1
InChIKeyPNWZKAONKBRJSM-CRAIPNDOSA-N
MW298.31 g/mol
LogP3.36
Rot. Bonds4

About cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate

cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate (PubChem CID 44557655) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
PubChem CID44557655
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Namecis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H15FO3/c1-22-17(21)18(11-15(18)12-5-3-2-4-6-12)16(20)13-7-9-14(19)10-8-13/h2-10,15H,11H2,1H3/t15-,18-/m1/s1
InChIKeyPNWZKAONKBRJSM-CRAIPNDOSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate
CID 145071818
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
(1S,6S)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 675391
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
CID 101377661
methyl (1R)-1-(4-fluorobenzoyl)-2-methylidenecyclopentane-1-carboxylate
CID 101474558

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate (CID 44557655) is cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate is COC(=O)[C@]1(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate?
The InChIKey is PNWZKAONKBRJSM-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H15FO3/c1-22-17(21)18(11-15(18)12-5-3-2-4-6-12)16(20)13-7-9-14(19)10-8-13/h2-10,15H,11H2,1H3/t15-,18-/m1/s1.
What are the key properties of cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate?
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate has a molecular weight of 298.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 44557655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).