N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine

C13H16FN — CID 142320203

IUPACN-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C(F)/C1=N\C(=C)C(C)(C)C
InChIInChI=1S/C13H16FN/c1-9-7-6-8-11(14)12(9)15-10(2)13(3,4)5/h6-8H,1-2H2,3-5H3/b15-12-
InChIKeyCXAISMNTFLKWRV-QINSGFPZSA-N
MW205.28 g/mol
LogP3.97
Rot. Bonds1

About N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine

N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 142320203) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID142320203
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C(F)/C1=N\C(=C)C(C)(C)C
InChIInChI=1S/C13H16FN/c1-9-7-6-8-11(14)12(9)15-10(2)13(3,4)5/h6-8H,1-2H2,3-5H3/b15-12-
InChIKeyCXAISMNTFLKWRV-QINSGFPZSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine (CID 142320203) is N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C(F)/C1=N\C(=C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is CXAISMNTFLKWRV-QINSGFPZSA-N. The full InChI is InChI=1S/C13H16FN/c1-9-7-6-8-11(14)12(9)15-10(2)13(3,4)5/h6-8H,1-2H2,3-5H3/b15-12-.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 205.28 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 142320203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).