2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide

C10H9ClF3N3 — CID 158087990

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3N3/c11-8-2-1-7(10(12,13)14)3-6(8)4-17-5-9(15)16/h1-4H,5H2,(H3,15,16)/b17-4+
InChIKeyUOQPPSZUDKPUPK-HAVNEIBRSA-N
MW263.65 g/mol
LogP2.71
Rot. Bonds3

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide

2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide (PubChem CID 158087990) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
PubChem CID158087990
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3N3/c11-8-2-1-7(10(12,13)14)3-6(8)4-17-5-9(15)16/h1-4H,5H2,(H3,15,16)/b17-4+
InChIKeyUOQPPSZUDKPUPK-HAVNEIBRSA-N
XLogP2.71
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
CID 161150838
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508
1-N-[(4-chlorophenyl)methylidene]-3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]propane-1,2,3-triimine;hydrochloride
CID 158187851
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide
CID 158087991
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 75982125
(R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167531051
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
(E)-N'-amino-4-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-4-iminobut-2-enimidamide
CID 143191976
acetic acid;2-[(2-chloro-6-methylphenyl)methylideneamino]ethanimidamide
CID 158239944
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
methyliminomethyl 2-[2-amino-4-(trifluoromethyl)phenyl]ethanimidate
CID 143400095

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide (CID 158087990) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide is [H]/N=C(\N)C/N=C/c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide?
The InChIKey is UOQPPSZUDKPUPK-HAVNEIBRSA-N. The full InChI is InChI=1S/C10H9ClF3N3/c11-8-2-1-7(10(12,13)14)3-6(8)4-17-5-9(15)16/h1-4H,5H2,(H3,15,16)/b17-4+.
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide?
2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide has a molecular weight of 263.65 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide is sourced from PubChem (CID 158087990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).