2-[4-(trifluoromethyl)phenyl]ethylcyanamide

C10H9F3N2 — CID 162536866

IUPAC2-[4-(trifluoromethyl)phenyl]ethylcyanamide
SMILESN#CNCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-3-1-8(2-4-9)5-6-15-7-14/h1-4,15H,5-6H2
InChIKeyTVXGFOFRGWMUNC-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.32
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenyl]ethylcyanamide

2-[4-(trifluoromethyl)phenyl]ethylcyanamide (PubChem CID 162536866) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]ethylcyanamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]ethylcyanamide
PubChem CID162536866
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name2-[4-(trifluoromethyl)phenyl]ethylcyanamide
SMILESN#CNCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-3-1-8(2-4-9)5-6-15-7-14/h1-4,15H,5-6H2
InChIKeyTVXGFOFRGWMUNC-UHFFFAOYSA-N
XLogP2.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
CID 104868043
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
[3-phenyl-3-[4-(trifluoromethyl)phenoxy]butyl]cyanamide
CID 57210582
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
CID 35302797
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 167925836
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethylcyanamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethylcyanamide (CID 162536866) is 2-[4-(trifluoromethyl)phenyl]ethylcyanamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]ethylcyanamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]ethylcyanamide is N#CNCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]ethylcyanamide?
The InChIKey is TVXGFOFRGWMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-10(12,13)9-3-1-8(2-4-9)5-6-15-7-14/h1-4,15H,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]ethylcyanamide?
2-[4-(trifluoromethyl)phenyl]ethylcyanamide has a molecular weight of 214.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]ethylcyanamide is sourced from PubChem (CID 162536866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).