methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate

C12H13FO2 — CID 82077609

IUPACmethyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H13FO2/c1-15-12(14)11(8-2-3-8)9-4-6-10(13)7-5-9/h4-8,11H,2-3H2,1H3
InChIKeyLQRWFVMHHYLKTQ-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.49
Rot. Bonds3

About methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate

methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate (PubChem CID 82077609) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
PubChem CID82077609
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namemethyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
SMILESCOC(=O)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H13FO2/c1-15-12(14)11(8-2-3-8)9-4-6-10(13)7-5-9/h4-8,11H,2-3H2,1H3
InChIKeyLQRWFVMHHYLKTQ-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 110356066
2-cyclopropyl-2-(4-fluorophenyl)-N-methyl-N-phenylacetamide
CID 110355956
2-cyclopropyl-2-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110428220
methyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
CID 43782293
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
CID 130277314

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate (CID 82077609) is methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate is COC(=O)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate?
The InChIKey is LQRWFVMHHYLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-15-12(14)11(8-2-3-8)9-4-6-10(13)7-5-9/h4-8,11H,2-3H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate?
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate has a molecular weight of 208.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 82077609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).