4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

C8H8FN — CID 155221501

IUPAC4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C)C(F)=CC1=C
InChIInChI=1S/C8H8FN/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,2H2,1H3/b10-8+
InChIKeyYDMFVGLJZKAIFO-CSKARUKUSA-N
MW137.16 g/mol
LogP2.38
Rot. Bonds

About 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 155221501) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID155221501
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C)C(F)=CC1=C
InChIInChI=1S/C8H8FN/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,2H2,1H3/b10-8+
InChIKeyYDMFVGLJZKAIFO-CSKARUKUSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.38
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

CID 10909510
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CID 86016874
CID 86016874
CID 70294279
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CID 89021973
CID 89021973
CID 89255212
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CID 90894939
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CID 91325186
CID 91325186
CID 91342165
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CID 91576140
CID 91576140

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 155221501) is 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=C(C)C(F)=CC1=C.
What is the InChIKey of 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is YDMFVGLJZKAIFO-CSKARUKUSA-N. The full InChI is InChI=1S/C8H8FN/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,2H2,1H3/b10-8+.
What are the key properties of 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 137.16 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 155221501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).