3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate

C11H16Cl3NO — CID 54351412

IUPAC3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OCC=CC1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H16Cl3NO/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h4,7,9,15H,1-3,5-6,8H2/b7-4?,15-10-
InChIKeyUGAPDDNWSXDYFP-WCPOTPLZSA-N
MW284.61 g/mol
LogP4.49
Rot. Bonds3

About 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate

3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate (PubChem CID 54351412) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate
PubChem CID54351412
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate
SMILES[H]/N=C(\OCC=CC1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H16Cl3NO/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h4,7,9,15H,1-3,5-6,8H2/b7-4?,15-10-
InChIKeyUGAPDDNWSXDYFP-WCPOTPLZSA-N
XLogP4.49
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-cyclohexylprop-2-enyl] 2,2,2-trichloroethanimidate
CID 11358086
4-Cyclohexylbuta-2,3-dienyl 2,2,2-trichloroethanimidate
CID 134993414
[(E)-3-[(1R)-4-methylcyclohex-3-en-1-yl]but-2-enyl] 2,2,2-trichloroethanimidate
CID 135037993
[(E,4R)-4-methyloct-2-enyl] 2,2,2-trichloroethanimidate
CID 11346712
[(2E)-nona-2,8-dienyl] 2,2,2-trichloroethanimidate
CID 23729528
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 2,2,2-trichloroethanimidate
CID 71657916
[(2E)-deca-2,9-dienyl] 2,2,2-trichloroethanimidate
CID 101452296
[(2E)-2-(3,3,5-trimethylcyclohexylidene)ethyl] 2,2,2-trichloroethanimidate
CID 102183843
2-(4-Tert-butylcyclohexylidene)ethyl 2,2,2-trichloroethanimidate
CID 102183844

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate?
The IUPAC name of 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate (CID 54351412) is 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate.
What is the SMILES notation for 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate?
The canonical SMILES for 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate is [H]/N=C(\OCC=CC1CCCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate?
The InChIKey is UGAPDDNWSXDYFP-WCPOTPLZSA-N. The full InChI is InChI=1S/C11H16Cl3NO/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h4,7,9,15H,1-3,5-6,8H2/b7-4?,15-10-.
What are the key properties of 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate?
3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate has a molecular weight of 284.61 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-enyl 2,2,2-trichloroethanimidate is sourced from PubChem (CID 54351412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).