methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate

C16H18F3NO3 — CID 57096324

IUPACmethyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(=NOC1(C)CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO3/c1-15(9-3-4-10-15)23-20-13(14(21)22-2)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3
InChIKeyWVSJQCSDNNYCIW-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.93
Rot. Bonds4

About methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate

methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 57096324) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID57096324
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Namemethyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)C(=NOC1(C)CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO3/c1-15(9-3-4-10-15)23-20-13(14(21)22-2)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3
InChIKeyWVSJQCSDNNYCIW-UHFFFAOYSA-N
XLogP3.93
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-methoxyimino-2-[2-[(1E,3E)-4-[2-(trifluoromethyl)phenyl]buta-1,3-dienyl]phenyl]acetate
CID 44368851
methyl (2E)-2-methoxyimino-2-[2-[(E)-4-[2-(trifluoromethyl)phenyl]but-1-en-3-ynyl]phenyl]acetate
CID 44368805
methyl (2E)-2-methoxyimino-2-[2-[4-[2-(trifluoromethyl)phenyl]butyl]phenyl]acetate
CID 44368959
4-(Trifluoromethyl)phenyldiazoacetic acid methyl ester
CID 73115612
Tert-butyl 2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 74080449
3-[4-(Trifluoromethyl)phenyl]-2-isoxazoline-5-one
CID 101809705
ethyl (2E)-2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 101885738
Methyl 2-methoxyimino-2-phenylacetate
CID 577152
Methoxyimino-phenylacetic acid, methyl ester
CID 9602710
ethyl (2Z)-2-(4-fluorophenyl)-2-methoxyiminoacetate
CID 56601405
Methyl 4-[(1e)-prop-1-en-1-yl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 129839478
Methyl 3-[4-(trifluoromethyl)phenyl]-5-(4-methoxy-4-methylpentyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 129839514

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate (CID 57096324) is methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate is COC(=O)C(=NOC1(C)CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is WVSJQCSDNNYCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-15(9-3-4-10-15)23-20-13(14(21)22-2)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate?
methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 329.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylcyclopentyl)oxyimino-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 57096324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).