ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate

C14H16F2O3 — CID 20792268

IUPACethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1C(c2ccc(OC)cc2)C1(F)F
InChIInChI=1S/C14H16F2O3/c1-3-19-12(17)8-11-13(14(11,15)16)9-4-6-10(18-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyCFZDLIPIXNGFKB-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate

ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate (PubChem CID 20792268) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
PubChem CID20792268
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1C(c2ccc(OC)cc2)C1(F)F
InChIInChI=1S/C14H16F2O3/c1-3-19-12(17)8-11-13(14(11,15)16)9-4-6-10(18-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyCFZDLIPIXNGFKB-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4,4-difluoro-1-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]acetate
CID 102289818
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
ethyl (1R,2R,3R)-1-amino-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropane-1-carboxylate
CID 124746961
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091
ethyl (2S,3R)-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 11264847
ethyl 2-(4-methoxyphenyl)selanylacetate
CID 10635957
ethyl 2-[(4-methoxyphenyl)-dimethylsilyl]acetate
CID 11075965
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
ethyl (2S,3R)-2-ethyl-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 793344
ethyl 4-ethyl-1-(4-methoxyphenyl)bicyclo[1.1.0]butane-2-carboxylate
CID 140932210
ethyl (1R,2R,3R)-1-cyano-2-(4-methoxyphenyl)-3-methylsulfonylcyclopropane-1-carboxylate
CID 124745777
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate (CID 20792268) is ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate is CCOC(=O)CC1C(c2ccc(OC)cc2)C1(F)F.
What is the InChIKey of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
The InChIKey is CFZDLIPIXNGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-3-19-12(17)8-11-13(14(11,15)16)9-4-6-10(18-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate has a molecular weight of 270.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate is sourced from PubChem (CID 20792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).