N-[4-cyano-2-(trifluoromethyl)phenyl]formamide

C9H5F3N2O — CID 64992328

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]formamide
SMILESN#Cc1ccc(NC=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-6(4-13)1-2-8(7)14-5-15/h1-3,5H,(H,14,15)
InChIKeyMQHOPQICBAUBQR-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.15
Rot. Bonds2

About N-[4-cyano-2-(trifluoromethyl)phenyl]formamide

N-[4-cyano-2-(trifluoromethyl)phenyl]formamide (PubChem CID 64992328) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]formamide
PubChem CID64992328
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]formamide
SMILESN#Cc1ccc(NC=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-3-6(4-13)1-2-8(7)14-5-15/h1-3,5H,(H,14,15)
InChIKeyMQHOPQICBAUBQR-UHFFFAOYSA-N
XLogP2.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687096
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64591216
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
4-[2-(tert-butylamino)ethylamino]-3-(trifluoromethyl)benzonitrile
CID 107444968
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
4-(1H-pyrrol-2-ylmethylamino)-3-(trifluoromethyl)benzonitrile
CID 55060403
4-[(3-aminocyclobutyl)amino]-3-(trifluoromethyl)benzonitrile
CID 80559778
4-formyl-3,5-bis(trifluoromethyl)benzonitrile
CID 119014976
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]formamide (CID 64992328) is N-[4-cyano-2-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]formamide is N#Cc1ccc(NC=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]formamide?
The InChIKey is MQHOPQICBAUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-6(4-13)1-2-8(7)14-5-15/h1-3,5H,(H,14,15).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]formamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide has a molecular weight of 214.15 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 64992328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).