methyl 4-(2,4,5-trifluorophenyl)butanimidate

C11H12F3NO — CID 129041026

IUPACmethyl 4-(2,4,5-trifluorophenyl)butanimidate
SMILES[H]/N=C(/CCCc1cc(F)c(F)cc1F)OC
InChIInChI=1S/C11H12F3NO/c1-16-11(15)4-2-3-7-5-9(13)10(14)6-8(7)12/h5-6,15H,2-4H2,1H3/b15-11-
InChIKeyYFNHCIRSFXKTEX-PTNGSMBKSA-N
MW231.22 g/mol
LogP3.05
Rot. Bonds4

About methyl 4-(2,4,5-trifluorophenyl)butanimidate

methyl 4-(2,4,5-trifluorophenyl)butanimidate (PubChem CID 129041026) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is methyl 4-(2,4,5-trifluorophenyl)butanimidate.

Molecular Properties

Compound Namemethyl 4-(2,4,5-trifluorophenyl)butanimidate
PubChem CID129041026
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Namemethyl 4-(2,4,5-trifluorophenyl)butanimidate
SMILES[H]/N=C(/CCCc1cc(F)c(F)cc1F)OC
InChIInChI=1S/C11H12F3NO/c1-16-11(15)4-2-3-7-5-9(13)10(14)6-8(7)12/h5-6,15H,2-4H2,1H3/b15-11-
InChIKeyYFNHCIRSFXKTEX-PTNGSMBKSA-N
XLogP3.05
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 4-(2,4,5-trifluorophenyl)butanimidate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-(3,4-difluorophenoxy)propanimidate
CID 95441850
methyl 4-(4-propan-2-ylphenyl)butanimidate
CID 95443204
dihydroxy-methoxy-[6-(2,4,5-trifluorophenyl)hexyl]silane
CID 90172605
hydroxy-dimethoxy-[2-(2,4,5-trifluorophenyl)ethyl]silane
CID 90174072
CID 90174905
CID 90174905
CID 90170957
CID 90170957
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826
triethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170821
trihydroxy-[5-(2,4,5-trifluorophenyl)pentyl]silane
CID 90174504
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
tripropoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90170924

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4,5-trifluorophenyl)butanimidate?
The IUPAC name of methyl 4-(2,4,5-trifluorophenyl)butanimidate (CID 129041026) is methyl 4-(2,4,5-trifluorophenyl)butanimidate.
What is the SMILES notation for methyl 4-(2,4,5-trifluorophenyl)butanimidate?
The canonical SMILES for methyl 4-(2,4,5-trifluorophenyl)butanimidate is [H]/N=C(/CCCc1cc(F)c(F)cc1F)OC.
What is the InChIKey of methyl 4-(2,4,5-trifluorophenyl)butanimidate?
The InChIKey is YFNHCIRSFXKTEX-PTNGSMBKSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-11(15)4-2-3-7-5-9(13)10(14)6-8(7)12/h5-6,15H,2-4H2,1H3/b15-11-.
What are the key properties of methyl 4-(2,4,5-trifluorophenyl)butanimidate?
methyl 4-(2,4,5-trifluorophenyl)butanimidate has a molecular weight of 231.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4,5-trifluorophenyl)butanimidate is sourced from PubChem (CID 129041026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).