(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine

C10H11BrFN — CID 177017589

IUPAC(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=C(Br)C(F)=C/C1=N\C
InChIInChI=1S/C10H11BrFN/c1-3-4-7-5-8(11)9(12)6-10(7)13-2/h4-6H,3H2,1-2H3/b7-4-,13-10+
InChIKeyPPMWFUJJHIAJAV-ZPSMGGMLSA-N
MW244.11 g/mol
LogP3.54
Rot. Bonds1

About (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine

(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine (PubChem CID 177017589) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
PubChem CID177017589
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=C(Br)C(F)=C/C1=N\C
InChIInChI=1S/C10H11BrFN/c1-3-4-7-5-8(11)9(12)6-10(7)13-2/h4-6H,3H2,1-2H3/b7-4-,13-10+
InChIKeyPPMWFUJJHIAJAV-ZPSMGGMLSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.54
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

(6Z)-3-bromo-5-fluoro-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 134172239
6-bromo-4-fluoro-2,3-dimethyl-2H-indole
CID 139324903
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
5-bromo-7-fluoro-2-methyl-2H-indole
CID 172852828
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine
CID 143372715
N-ethyl-3,4,5-trifluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 145509819
(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
CID 162585419
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
6-bromo-3-methyl-2H-indole
CID 124517261

Frequently Asked Questions

What is the IUPAC name of (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine (CID 177017589) is (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine is CC/C=C1/C=C(Br)C(F)=C/C1=N\C.
What is the InChIKey of (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is PPMWFUJJHIAJAV-ZPSMGGMLSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-3-4-7-5-8(11)9(12)6-10(7)13-2/h4-6H,3H2,1-2H3/b7-4-,13-10+.
What are the key properties of (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine?
(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 244.11 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 177017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).