(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate

C10H9FN2O2 — CID 58777394

IUPAC(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(F)ccc1C#N
InChIInChI=1S/C10H9FN2O2/c1-13(2)10(14)15-9-5-8(11)4-3-7(9)6-12/h3-5H,1-2H3
InChIKeyBRGRFBNYNBYRLV-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.76
Rot. Bonds1

About (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate

(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate (PubChem CID 58777394) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate
PubChem CID58777394
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(F)ccc1C#N
InChIInChI=1S/C10H9FN2O2/c1-13(2)10(14)15-9-5-8(11)4-3-7(9)6-12/h3-5H,1-2H3
InChIKeyBRGRFBNYNBYRLV-UHFFFAOYSA-N
XLogP1.76
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
(2-cyanophenyl) N-methyl-N-nitrosocarbamate
CID 21316917
methyl 3-(2-cyano-5-fluorophenyl)propanoate
CID 165345425
2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 103760678
4-fluoro-2-methylsulfanylbenzonitrile
CID 16753944
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
(2-cyanophenyl) 4-fluorobenzoate
CID 7934940
2-[2-(dimethylamino)-2-methylpropoxy]-5-fluorobenzonitrile
CID 79679477
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
methyl 3-(2-cyano-4-fluorophenyl)prop-2-enoate
CID 54125963
tert-butyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 122389984
2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 39959751

Frequently Asked Questions

What is the IUPAC name of (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate?
The IUPAC name of (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate (CID 58777394) is (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate?
The canonical SMILES for (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(F)ccc1C#N.
What is the InChIKey of (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate?
The InChIKey is BRGRFBNYNBYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13(2)10(14)15-9-5-8(11)4-3-7(9)6-12/h3-5H,1-2H3.
What are the key properties of (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate?
(2-cyano-5-fluorophenyl) N,N-dimethylcarbamate has a molecular weight of 208.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-5-fluorophenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 58777394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).