(2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate

C8H11Cl2NO — CID 140971942

IUPAC(2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate
SMILESCC(=NCl)OC1CCCC=C1Cl
InChIInChI=1S/C8H11Cl2NO/c1-6(11-10)12-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3
InChIKeyNTISZEVNEOAAHW-UHFFFAOYSA-N
MW208.09 g/mol
LogP3.25
Rot. Bonds1

About (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate

(2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate (PubChem CID 140971942) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate.

Molecular Properties

Compound Name(2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate
PubChem CID140971942
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name(2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate
SMILESCC(=NCl)OC1CCCC=C1Cl
InChIInChI=1S/C8H11Cl2NO/c1-6(11-10)12-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3
InChIKeyNTISZEVNEOAAHW-UHFFFAOYSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(R)-2,2,2-Trichloro-1-[2-chloro-cyclohex-2-enyloxy)-ethylideneamine
CID 10945728
(2-Chlorocyclohex-2-en-1-yl) 2,2,2-trichloroethanimidate
CID 23194673
[(1R)-2-chlorocyclohex-2-en-1-yl] 2,2,2-trichloro-N-deuterioethanimidate
CID 57036640

Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate?
The IUPAC name of (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate (CID 140971942) is (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate.
What is the SMILES notation for (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate?
The canonical SMILES for (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate is CC(=NCl)OC1CCCC=C1Cl.
What is the InChIKey of (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate?
The InChIKey is NTISZEVNEOAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2NO/c1-6(11-10)12-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3.
What are the key properties of (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate?
(2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate has a molecular weight of 208.09 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohex-2-en-1-yl) N-chloroethanimidate is sourced from PubChem (CID 140971942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).