[2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C19H23F3O3 — CID 146548646

IUPAC[2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCOCc1c(F)cc(COC(=O)C2C(C=C(C)C)C2(C)C)c(F)c1F
InChIInChI=1S/C19H23F3O3/c1-10(2)6-13-15(19(13,3)4)18(23)25-8-11-7-14(20)12(9-24-5)17(22)16(11)21/h6-7,13,15H,8-9H2,1-5H3
InChIKeyAQIKTJMYJDMJSX-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.53
Rot. Bonds6

About [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

[2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 146548646) has the molecular formula C19H23F3O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID146548646
Molecular FormulaC19H23F3O3
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name[2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCOCc1c(F)cc(COC(=O)C2C(C=C(C)C)C2(C)C)c(F)c1F
InChIInChI=1S/C19H23F3O3/c1-10(2)6-13-15(19(13,3)4)18(23)25-8-11-7-14(20)12(9-24-5)17(22)16(11)21/h6-7,13,15H,8-9H2,1-5H3
InChIKeyAQIKTJMYJDMJSX-UHFFFAOYSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 146548646) is [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is COCc1c(F)cc(COC(=O)C2C(C=C(C)C)C2(C)C)c(F)c1F.
What is the InChIKey of [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is AQIKTJMYJDMJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3O3/c1-10(2)6-13-15(19(13,3)4)18(23)25-8-11-7-14(20)12(9-24-5)17(22)16(11)21/h6-7,13,15H,8-9H2,1-5H3.
What are the key properties of [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
[2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5-trifluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 146548646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).