1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine

C10H10FN — CID 143372715

IUPAC1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine
SMILESC/N=C(\C)C1=CC=C(F)C=C=C1
InChIInChI=1S/C10H10FN/c1-8(12-2)9-4-3-5-10(11)7-6-9/h4-7H,1-2H3/b12-8+
InChIKeyMNTICOKABYIQAA-XYOKQWHBSA-N
MW163.19 g/mol
LogP2.58
Rot. Bonds1

About 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine

1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine (PubChem CID 143372715) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine
PubChem CID143372715
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine
SMILESC/N=C(\C)C1=CC=C(F)C=C=C1
InChIInChI=1S/C10H10FN/c1-8(12-2)9-4-3-5-10(11)7-6-9/h4-7H,1-2H3/b12-8+
InChIKeyMNTICOKABYIQAA-XYOKQWHBSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine?
The IUPAC name of 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine (CID 143372715) is 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine.
What is the SMILES notation for 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine?
The canonical SMILES for 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine is C/N=C(\C)C1=CC=C(F)C=C=C1.
What is the InChIKey of 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine?
The InChIKey is MNTICOKABYIQAA-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H10FN/c1-8(12-2)9-4-3-5-10(11)7-6-9/h4-7H,1-2H3/b12-8+.
What are the key properties of 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine?
1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine has a molecular weight of 163.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine is sourced from PubChem (CID 143372715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).