N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide

C9H9F3N2O — CID 87961063

IUPACN-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
SMILESNN(C=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-3-1-7(2-4-8)5-14(13)6-15/h1-4,6H,5,13H2
InChIKeyWGCIPLCSIZWGIQ-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.54
Rot. Bonds3

About N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide

N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 87961063) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
PubChem CID87961063
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
SMILESNN(C=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8-3-1-7(2-4-8)5-14(13)6-15/h1-4,6H,5,13H2
InChIKeyWGCIPLCSIZWGIQ-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-[4-(trifluoromethyl)phenyl]formamide
CID 88634527
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide
CID 178067829
1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)benzene
CID 167049064
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
(2S)-3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenyl]methyl]propanal
CID 46201312
N-(5-formyl-2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
CID 139985276
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The IUPAC name of N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide (CID 87961063) is N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide.
What is the SMILES notation for N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The canonical SMILES for N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide is NN(C=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The InChIKey is WGCIPLCSIZWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)8-3-1-7(2-4-8)5-14(13)6-15/h1-4,6H,5,13H2.
What are the key properties of N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 218.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[[4-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 87961063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).