methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate

C15H21FO3Sn — CID 140648492

IUPACmethyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(OC)c([Sn](C)(C)C)cc2F)CC1
InChIInChI=1S/C12H12FO3.3CH3.Sn/c1-15-8-3-4-10(13)9(7-8)12(5-6-12)11(14)16-2;;;;/h4,7H,5-6H2,1-2H3;3*1H3;
InChIKeyLIILWZXWERHTQS-UHFFFAOYSA-N
MW387.04 g/mol
LogP2.58
Rot. Bonds4

About methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate

methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate (PubChem CID 140648492) has the molecular formula C15H21FO3Sn and a molecular weight of 387.04 g/mol. Its IUPAC name is methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate
PubChem CID140648492
Molecular FormulaC15H21FO3Sn
Molecular Weight387.04 g/mol
Exact Mass388.05
IUPAC Namemethyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(OC)c([Sn](C)(C)C)cc2F)CC1
InChIInChI=1S/C12H12FO3.3CH3.Sn/c1-15-8-3-4-10(13)9(7-8)12(5-6-12)11(14)16-2;;;;/h4,7H,5-6H2,1-2H3;3*1H3;
InChIKeyLIILWZXWERHTQS-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.04
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008
methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
methyl 1-(5-hydroxy-2-methoxyphenyl)cyclopropane-1-carboxylate
CID 105478906
methyl 4-(2,5-difluoro-3-methoxyphenyl)oxane-4-carboxylate
CID 11403422
methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 105497539
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 90298931
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate
CID 57280044
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate (CID 140648492) is methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cc(OC)c([Sn](C)(C)C)cc2F)CC1.
What is the InChIKey of methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate?
The InChIKey is LIILWZXWERHTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FO3.3CH3.Sn/c1-15-8-3-4-10(13)9(7-8)12(5-6-12)11(14)16-2;;;;/h4,7H,5-6H2,1-2H3;3*1H3;.
What are the key properties of methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate?
methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate has a molecular weight of 387.04 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-5-methoxy-4-trimethylstannylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 140648492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).