2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide

C10H6F4N2O2 — CID 168520551

IUPAC2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H6F4N2O2/c11-7-2-1-6(18-10(12,13)14)5-8(7)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17)
InChIKeyLLDSZXKUNZIKCB-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.58
Rot. Bonds3

About 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide

2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide (PubChem CID 168520551) has the molecular formula C10H6F4N2O2 and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
PubChem CID168520551
Molecular FormulaC10H6F4N2O2
Molecular Weight262.16 g/mol
Exact Mass262.04
IUPAC Name2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H6F4N2O2/c11-7-2-1-6(18-10(12,13)14)5-8(7)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17)
InChIKeyLLDSZXKUNZIKCB-UHFFFAOYSA-N
XLogP2.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
CID 168520569
N-[5-bromo-4-fluoro-2-hydroxy-3-(trifluoromethoxy)phenyl]-2-cyanoacetamide
CID 168523660
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 168521827
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 168523936
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]-2-cyanoacetamide
CID 168521148
N-[5-bromo-4-(difluoromethoxy)-2-fluorophenyl]-2-cyanoacetamide
CID 168524155

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide (CID 168520551) is 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide is N#CCC(=O)Nc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is LLDSZXKUNZIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O2/c11-7-2-1-6(18-10(12,13)14)5-8(7)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17).
What are the key properties of 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide?
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 262.16 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 168520551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).