N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide

C8H8F3N3 — CID 123856257

IUPACN-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide
SMILES[H]/N=C/N(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)6-2-1-3-7(4-6)14(13)5-12/h1-5,12H,13H2/b12-5+
InChIKeyIUXHZPDYRGTZAE-LFYBBSHMSA-N
MW203.17 g/mol
LogP1.99
Rot. Bonds2

About N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide

N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide (PubChem CID 123856257) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide
PubChem CID123856257
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC NameN-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide
SMILES[H]/N=C/N(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)6-2-1-3-7(4-6)14(13)5-12/h1-5,12H,13H2/b12-5+
InChIKeyIUXHZPDYRGTZAE-LFYBBSHMSA-N
XLogP1.99
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N'-prop-2-ynyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 151849646
N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
CID 139644460
1-[(Z)-2-chlorobut-2-enyl]-1-[3-(trifluoromethyl)phenyl]thiourea
CID 21480098
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
2-[N-ethylsulfonyl-3-(trifluoromethyl)anilino]ethanimidamide
CID 99975472
CID 57448987
CID 57448987
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 59479747
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide?
The IUPAC name of N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide (CID 123856257) is N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide.
What is the SMILES notation for N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide?
The canonical SMILES for N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide is [H]/N=C/N(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide?
The InChIKey is IUXHZPDYRGTZAE-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)6-2-1-3-7(4-6)14(13)5-12/h1-5,12H,13H2/b12-5+.
What are the key properties of N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide?
N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide has a molecular weight of 203.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[3-(trifluoromethyl)phenyl]methanimidamide is sourced from PubChem (CID 123856257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).