methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate

C12H13FO3 — CID 170961786

IUPACmethyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(OC1CC1)c1cccc(F)c1
InChIInChI=1S/C12H13FO3/c1-15-12(14)11(16-10-5-6-10)8-3-2-4-9(13)7-8/h2-4,7,10-11H,5-6H2,1H3
InChIKeyDFESDAZHBLRWCV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate

methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate (PubChem CID 170961786) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
PubChem CID170961786
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
SMILESCOC(=O)C(OC1CC1)c1cccc(F)c1
InChIInChI=1S/C12H13FO3/c1-15-12(14)11(16-10-5-6-10)8-3-2-4-9(13)7-8/h2-4,7,10-11H,5-6H2,1H3
InChIKeyDFESDAZHBLRWCV-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
methyl 3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylbutanoate
CID 81365512
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
ethyl (3S)-3-[(2-cyclopropyloxyacetyl)amino]-3-(3-fluorophenyl)propanoate
CID 163413081
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
2-cyclobutyloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62383123
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate?
The IUPAC name of methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate (CID 170961786) is methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate is COC(=O)C(OC1CC1)c1cccc(F)c1.
What is the InChIKey of methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate?
The InChIKey is DFESDAZHBLRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-15-12(14)11(16-10-5-6-10)8-3-2-4-9(13)7-8/h2-4,7,10-11H,5-6H2,1H3.
What are the key properties of methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate?
methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate has a molecular weight of 224.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 170961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).