[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate

C14H17F2NO3 — CID 101052875

IUPAC[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(=C(F)F)c1cccc(OC)c1
InChIInChI=1S/C14H17F2NO3/c1-4-17(5-2)14(18)20-12(13(15)16)10-7-6-8-11(9-10)19-3/h6-9H,4-5H2,1-3H3
InChIKeyMUAGRNJSZTYJOQ-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.74
Rot. Bonds5

About [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate

[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate (PubChem CID 101052875) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate
PubChem CID101052875
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(=C(F)F)c1cccc(OC)c1
InChIInChI=1S/C14H17F2NO3/c1-4-17(5-2)14(18)20-12(13(15)16)10-7-6-8-11(9-10)19-3/h6-9H,4-5H2,1-3H3
InChIKeyMUAGRNJSZTYJOQ-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-methoxy-N,N-dipropylbenzamide
CID 669439
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
S-(3-methoxyphenyl) N,N-diethylcarbamothioate
CID 10847603
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate?
The IUPAC name of [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate (CID 101052875) is [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate.
What is the SMILES notation for [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate?
The canonical SMILES for [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate is CCN(CC)C(=O)OC(=C(F)F)c1cccc(OC)c1.
What is the InChIKey of [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate?
The InChIKey is MUAGRNJSZTYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-4-17(5-2)14(18)20-12(13(15)16)10-7-6-8-11(9-10)19-3/h6-9H,4-5H2,1-3H3.
What are the key properties of [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate?
[2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate has a molecular weight of 285.29 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(3-methoxyphenyl)ethenyl] N,N-diethylcarbamate is sourced from PubChem (CID 101052875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).