methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate

C10H12FNO — CID 89198243

IUPACmethyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate
SMILESC=C(/N=C/OC)C1C=CC(F)=CC1
InChIInChI=1S/C10H12FNO/c1-8(12-7-13-2)9-3-5-10(11)6-4-9/h3,5-7,9H,1,4H2,2H3/b12-7+
InChIKeyPBXNSKJAAKCLJF-KPKJPENVSA-N
MW181.21 g/mol
LogP2.60
Rot. Bonds3

About methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate

methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate (PubChem CID 89198243) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate.

Molecular Properties

Compound Namemethyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate
PubChem CID89198243
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Namemethyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate
SMILESC=C(/N=C/OC)C1C=CC(F)=CC1
InChIInChI=1S/C10H12FNO/c1-8(12-7-13-2)9-3-5-10(11)6-4-9/h3,5-7,9H,1,4H2,2H3/b12-7+
InChIKeyPBXNSKJAAKCLJF-KPKJPENVSA-N
XLogP2.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.60
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 N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate?
The IUPAC name of methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate (CID 89198243) is methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate.
What is the SMILES notation for methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate?
The canonical SMILES for methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate is C=C(/N=C/OC)C1C=CC(F)=CC1.
What is the InChIKey of methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate?
The InChIKey is PBXNSKJAAKCLJF-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12FNO/c1-8(12-7-13-2)9-3-5-10(11)6-4-9/h3,5-7,9H,1,4H2,2H3/b12-7+.
What are the key properties of methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate?
methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate has a molecular weight of 181.21 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate is sourced from PubChem (CID 89198243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).