(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine

C9H10FNO — CID 169233924

IUPAC(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC(C)=C\C1=C\F
InChIInChI=1S/C9H10FNO/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-5,11H,1-2H3/b7-5-,11-9-
InChIKeyDUNUEFWLWDCALM-CXHWBCNXSA-N
MW167.18 g/mol
LogP2.35
Rot. Bonds1

About (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine

(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine (PubChem CID 169233924) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
PubChem CID169233924
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC(C)=C\C1=C\F
InChIInChI=1S/C9H10FNO/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-5,11H,1-2H3/b7-5-,11-9-
InChIKeyDUNUEFWLWDCALM-CXHWBCNXSA-N
XLogP2.35
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine
CID 118357356
(2E,5E)-3-methoxy-5-(trifluoromethyl)hepta-2,5-dien-4-imine
CID 123292821
(3E,5E)-5-(1,1-difluoroethyl)-3-(difluoromethoxy)hepta-3,5-dien-2-imine
CID 166823988
2-Methoxy-5-methyl benzoquinone diimine
CID 20195267
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 89553367
(6Z)-2-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89693604
(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 90160314
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 117685697
(E)-5-methoxy-3-methylidenehex-4-en-2-imine
CID 123829590
(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine
CID 134386992
Ethane;3-methoxy-6-methylcyclohexa-3,5-diene-1,2-diimine
CID 142242925
(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 143158824

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine (CID 169233924) is (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C(OC)=CC(C)=C\C1=C\F.
What is the InChIKey of (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is DUNUEFWLWDCALM-CXHWBCNXSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-5,11H,1-2H3/b7-5-,11-9-.
What are the key properties of (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 167.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 169233924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).