4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

C9H10FN — CID 134381223

IUPAC4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(F)=CC1=C(C)C
InChIInChI=1S/C9H10FN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5,11H,1-2H3/b11-9+
InChIKeyOHFAGEVZLMMZCQ-PKNBQFBNSA-N
MW151.18 g/mol
LogP2.77
Rot. Bonds

About 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (PubChem CID 134381223) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
PubChem CID134381223
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(F)=CC1=C(C)C
InChIInChI=1S/C9H10FN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5,11H,1-2H3/b11-9+
InChIKeyOHFAGEVZLMMZCQ-PKNBQFBNSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
6-(Difluoromethylidene)cyclohexa-2,4-dien-1-imine
CID 10419267
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Toluquinone diimine
CID 57641797
(4-Propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 86016874
Dibenzocycloheptenimin
CID 129628903
N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
4-Fluorocyclohexa-2,4-dien-1-imine
CID 70294279
(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
3,4-Difluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89255212
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (CID 134381223) is 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(F)=CC1=C(C)C.
What is the InChIKey of 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is OHFAGEVZLMMZCQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H10FN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5,11H,1-2H3/b11-9+.
What are the key properties of 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 151.18 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134381223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).