ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

C21H21F3O2 — CID 170387451

IUPACethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)C(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3O2/c1-4-26-19(25)20(16-9-5-13(2)6-10-16)14(3)18(20)15-7-11-17(12-8-15)21(22,23)24/h5-12,14,18H,4H2,1-3H3
InChIKeyZMWYTPUWWLFHFQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.25
Rot. Bonds4

About ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 170387451) has the molecular formula C21H21F3O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID170387451
Molecular FormulaC21H21F3O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Nameethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)C(C)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3O2/c1-4-26-19(25)20(16-9-5-13(2)6-10-16)14(3)18(20)15-7-11-17(12-8-15)21(22,23)24/h5-12,14,18H,4H2,1-3H3
InChIKeyZMWYTPUWWLFHFQ-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-ethyl (1S,3S)-1-(3,4-dimethylphenyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 170387519
diethyl (3R,4R,5R)-2-amino-3-cyano-4,5-bis[4-(trifluoromethyl)phenyl]cyclopentene-1,3-dicarboxylate
CID 10875220
ethyl 2-amino-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
CID 135035188
ethyl (2S,3R)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate
CID 102056771
ethyl 1-[5-[(2S)-1-ethoxycarbonyl-2-methyl-3-phenylcyclopropyl]-2,6-dimethoxy-3-pyridinyl]-2-methyl-3-phenylcyclopropane-1-carboxylate
CID 170387676
trans-1-O-tert-butyl 2-O-ethyl (1R,2R)-1-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxylate
CID 135067376
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 134950018
methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
CID 102081874
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
diethyl (3aS,6R)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate
CID 100971862
ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
CID 117047921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (CID 170387451) is ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(C)cc2)C(C)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is ZMWYTPUWWLFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3O2/c1-4-26-19(25)20(16-9-5-13(2)6-10-16)14(3)18(20)15-7-11-17(12-8-15)21(22,23)24/h5-12,14,18H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 170387451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).