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

C8H7F3N2O — CID 88634527

IUPACN-amino-N-[4-(trifluoromethyl)phenyl]formamide
SMILESNN(C=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-1-3-7(4-2-6)13(12)5-14/h1-5H,12H2
InChIKeyRADMGFVMEHVPST-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.54
Rot. Bonds2

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

N-amino-N-[4-(trifluoromethyl)phenyl]formamide (PubChem CID 88634527) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is N-amino-N-[4-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-amino-N-[4-(trifluoromethyl)phenyl]formamide
PubChem CID88634527
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC NameN-amino-N-[4-(trifluoromethyl)phenyl]formamide
SMILESNN(C=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-1-3-7(4-2-6)13(12)5-14/h1-5H,12H2
InChIKeyRADMGFVMEHVPST-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
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]methyl]formamide
CID 87961063
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
CID 146573346
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
(3R)-3-fluoro-3-[4-(trifluoromethyl)phenyl]propanal
CID 168907438
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
CID 174144064
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[4-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-amino-N-[4-(trifluoromethyl)phenyl]formamide (CID 88634527) is N-amino-N-[4-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-amino-N-[4-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-amino-N-[4-(trifluoromethyl)phenyl]formamide is NN(C=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-amino-N-[4-(trifluoromethyl)phenyl]formamide?
The InChIKey is RADMGFVMEHVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)6-1-3-7(4-2-6)13(12)5-14/h1-5H,12H2.
What are the key properties of N-amino-N-[4-(trifluoromethyl)phenyl]formamide?
N-amino-N-[4-(trifluoromethyl)phenyl]formamide has a molecular weight of 204.15 g/mol, XLogP of 1.54, 2 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]formamide is sourced from PubChem (CID 88634527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).