[2-(trifluoromethyl)phenyl]cyanamide

C8H5F3N2 — CID 12503114

IUPAC[2-(trifluoromethyl)phenyl]cyanamide
SMILESN#CNc1ccccc1C(F)(F)F
InChIInChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-4-7(6)13-5-12/h1-4,13H
InChIKeyDJQJFMVBNUQDEB-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.60
Rot. Bonds1

About [2-(trifluoromethyl)phenyl]cyanamide

[2-(trifluoromethyl)phenyl]cyanamide (PubChem CID 12503114) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]cyanamide.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]cyanamide
PubChem CID12503114
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name[2-(trifluoromethyl)phenyl]cyanamide
SMILESN#CNc1ccccc1C(F)(F)F
InChIInChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-4-7(6)13-5-12/h1-4,13H
InChIKeyDJQJFMVBNUQDEB-UHFFFAOYSA-N
XLogP2.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)cyanamide
CID 54590721
2-thiophen-2-yl-2-[2-(trifluoromethyl)anilino]acetonitrile
CID 12060740
1-chloro-2-[2-(trifluoromethyl)phenyl]hydrazine
CID 175316529
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
1-(4-cyanophenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 127058276
1-[(2-cyanoacetyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 3539106
(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 5372832
3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 80509175
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine
CID 79106688
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]cyanamide?
The IUPAC name of [2-(trifluoromethyl)phenyl]cyanamide (CID 12503114) is [2-(trifluoromethyl)phenyl]cyanamide.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]cyanamide?
The canonical SMILES for [2-(trifluoromethyl)phenyl]cyanamide is N#CNc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]cyanamide?
The InChIKey is DJQJFMVBNUQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-4-7(6)13-5-12/h1-4,13H.
What are the key properties of [2-(trifluoromethyl)phenyl]cyanamide?
[2-(trifluoromethyl)phenyl]cyanamide has a molecular weight of 186.14 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]cyanamide is sourced from PubChem (CID 12503114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).