zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride

C7H10ClF2NO2Zn — CID 162537183

IUPACzinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride
SMILESCCN(CC)C(=O)O[C-]=C(F)F.[Cl-].[Zn+2]
InChIInChI=1S/C7H10F2NO2.ClH.Zn/c1-3-10(4-2)7(11)12-5-6(8)9;;/h3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNFEAXLTWQLKESU-UHFFFAOYSA-M
MW279.00 g/mol
LogP-0.99
Rot. Bonds3

About zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride

zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride (PubChem CID 162537183) has the molecular formula C7H10ClF2NO2Zn and a molecular weight of 279.00 g/mol. Its IUPAC name is zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride.

Molecular Properties

Compound Namezinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride
PubChem CID162537183
Molecular FormulaC7H10ClF2NO2Zn
Molecular Weight279.00 g/mol
Exact Mass276.97
IUPAC Namezinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride
SMILESCCN(CC)C(=O)O[C-]=C(F)F.[Cl-].[Zn+2]
InChIInChI=1S/C7H10F2NO2.ClH.Zn/c1-3-10(4-2)7(11)12-5-6(8)9;;/h3-4H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNFEAXLTWQLKESU-UHFFFAOYSA-M
XLogP-0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.00
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1,1-difluoro-3-oxopent-1-en-2-yl) N,N-diethylcarbamate
CID 24978052
(1-deuterio-2,2-difluoroethenyl) N,N-diethylcarbamate
CID 62706525
triethylstannyl N,N-diethylcarbamate
CID 16700104
(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate
CID 11107378
[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate
CID 10684919
bis(diethylamino)phosphanyl N,N-diethylcarbamate
CID 178171069
[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
CID 101353524
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
cyclobutyl N,N-diethylcarbamate
CID 89379531

Frequently Asked Questions

What is the IUPAC name of zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride?
The IUPAC name of zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride (CID 162537183) is zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride.
What is the SMILES notation for zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride?
The canonical SMILES for zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride is CCN(CC)C(=O)O[C-]=C(F)F.[Cl-].[Zn+2].
What is the InChIKey of zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride?
The InChIKey is NFEAXLTWQLKESU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10F2NO2.ClH.Zn/c1-3-10(4-2)7(11)12-5-6(8)9;;/h3-4H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride?
zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride has a molecular weight of 279.00 g/mol, XLogP of -0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2,2-difluoroethenyl N,N-diethylcarbamate;chloride is sourced from PubChem (CID 162537183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).