1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine

C10H11F2N — CID 143794971

IUPAC1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine
SMILESC/N=C(\C)C1=C(F)C=CCC(F)=C1
InChIInChI=1S/C10H11F2N/c1-7(13-2)9-6-8(11)4-3-5-10(9)12/h3,5-6H,4H2,1-2H3/b13-7+
InChIKeyQQCSRTJIURVZHF-NTUHNPAUSA-N
MW183.20 g/mol
LogP3.11
Rot. Bonds1

About 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine

1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine (PubChem CID 143794971) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine
PubChem CID143794971
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine
SMILESC/N=C(\C)C1=C(F)C=CCC(F)=C1
InChIInChI=1S/C10H11F2N/c1-7(13-2)9-6-8(11)4-3-5-10(9)12/h3,5-6H,4H2,1-2H3/b13-7+
InChIKeyQQCSRTJIURVZHF-NTUHNPAUSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 53.11
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)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
CID 88877671
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
(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-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine?
The IUPAC name of 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine (CID 143794971) is 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine.
What is the SMILES notation for 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine?
The canonical SMILES for 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine is C/N=C(\C)C1=C(F)C=CCC(F)=C1.
What is the InChIKey of 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine?
The InChIKey is QQCSRTJIURVZHF-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H11F2N/c1-7(13-2)9-6-8(11)4-3-5-10(9)12/h3,5-6H,4H2,1-2H3/b13-7+.
What are the key properties of 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine?
1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine has a molecular weight of 183.20 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanimine is sourced from PubChem (CID 143794971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).