2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride

C9H10ClF3N2O — CID 66812535

IUPAC2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-1-2-5(4-6)7(15)8(13)14;/h1-4,7,15H,(H3,13,14);1H
InChIKeyVSAHBCMJHNVJKP-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.10
Rot. Bonds2

About 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride

2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride (PubChem CID 66812535) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride
PubChem CID66812535
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-1-2-5(4-6)7(15)8(13)14;/h1-4,7,15H,(H3,13,14);1H
InChIKeyVSAHBCMJHNVJKP-UHFFFAOYSA-N
XLogP2.10
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.10
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride?
The IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride (CID 66812535) is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride?
The canonical SMILES for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride?
The InChIKey is VSAHBCMJHNVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-1-2-5(4-6)7(15)8(13)14;/h1-4,7,15H,(H3,13,14);1H.
What are the key properties of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride?
2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride has a molecular weight of 254.64 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 66812535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).