methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate

C11H14FNO — CID 165363426

IUPACmethyl 2-fluoro-N-propan-2-ylbenzenecarboximidate
SMILESCO/C(=N\C(C)C)c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12/h4-8H,1-3H3/b13-11-
InChIKeyMFJBHVZTKNBSIX-QBFSEMIESA-N
MW195.24 g/mol
LogP2.63
Rot. Bonds2

About methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate

methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate (PubChem CID 165363426) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl 2-fluoro-N-propan-2-ylbenzenecarboximidate
PubChem CID165363426
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Namemethyl 2-fluoro-N-propan-2-ylbenzenecarboximidate
SMILESCO/C(=N\C(C)C)c1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12/h4-8H,1-3H3/b13-11-
InChIKeyMFJBHVZTKNBSIX-QBFSEMIESA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate?
The IUPAC name of methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate (CID 165363426) is methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate.
What is the SMILES notation for methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate?
The canonical SMILES for methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate is CO/C(=N\C(C)C)c1ccccc1F.
What is the InChIKey of methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate?
The InChIKey is MFJBHVZTKNBSIX-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12/h4-8H,1-3H3/b13-11-.
What are the key properties of methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate?
methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate has a molecular weight of 195.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-N-propan-2-ylbenzenecarboximidate is sourced from PubChem (CID 165363426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).