sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate

C10H11Cl3NNaO — CID 70257808

IUPACsodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate
SMILES[H-].[H]/N=C(\OCCc1ccccc1)C(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C10H10Cl3NO.Na.H/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8;;/h1-5,14H,6-7H2;;/q;+1;-1/b14-9-;;
InChIKeyNFUWDVPBQKXNAU-SLYOBIJPSA-N
MW290.55 g/mol
LogP0.71
Rot. Bonds3

About sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate

sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate (PubChem CID 70257808) has the molecular formula C10H11Cl3NNaO and a molecular weight of 290.55 g/mol. Its IUPAC name is sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Namesodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate
PubChem CID70257808
Molecular FormulaC10H11Cl3NNaO
Molecular Weight290.55 g/mol
Exact Mass288.98
IUPAC Namesodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate
SMILES[H-].[H]/N=C(\OCCc1ccccc1)C(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C10H10Cl3NO.Na.H/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8;;/h1-5,14H,6-7H2;;/q;+1;-1/b14-9-;;
InChIKeyNFUWDVPBQKXNAU-SLYOBIJPSA-N
XLogP0.71
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 50.71
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'}

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Related Compounds

N-benzyl-2,2,2-trichloroacetamide;benzyl 2,2,2-trichloroethanimidate
CID 175728372
(4-hydroxyphenyl)methyl 2,2,2-trichloroethanimidate
CID 89030746
[6-phenylmethoxy-2-(2,2,2-trichloroethanimidoyl)oxyhex-3-ynyl] 2,2,2-trichloroethanimidate
CID 122372292
2-phenylpropan-2-yl 2,2,2-trichloroethanimidate
CID 11140517
[3-(3-isocyanophenyl)phenyl]methyl 2,2,2-trichloroethanimidate
CID 59874726
2-phenylethyl acetate
CID 7654
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
carbamothioic S-acid;O-(2-phenylethyl) carbamothioate
CID 118658866
2-bromo-3-oxo-3-(2-phenylethoxy)propanoic acid
CID 88766857
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate
CID 23650796

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate?
The IUPAC name of sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate (CID 70257808) is sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate.
What is the SMILES notation for sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate?
The canonical SMILES for sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate is [H-].[H]/N=C(\OCCc1ccccc1)C(Cl)(Cl)Cl.[Na+].
What is the InChIKey of sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate?
The InChIKey is NFUWDVPBQKXNAU-SLYOBIJPSA-N. The full InChI is InChI=1S/C10H10Cl3NO.Na.H/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8;;/h1-5,14H,6-7H2;;/q;+1;-1/b14-9-;;.
What are the key properties of sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate?
sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate has a molecular weight of 290.55 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-phenylethyl 2,2,2-trichloroethanimidate is sourced from PubChem (CID 70257808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).