acetic acid;2-(trifluoromethyl)benzenecarboximidamide

C10H11F3N2O2 — CID 122360504

IUPACacetic acid;2-(trifluoromethyl)benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3N2.C2H4O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;1-2(3)4/h1-4H,(H3,12,13);1H3,(H,3,4)
InChIKeyHXJWFWLVXHJWQA-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.08
Rot. Bonds1

About acetic acid;2-(trifluoromethyl)benzenecarboximidamide

acetic acid;2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 122360504) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is acetic acid;2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Nameacetic acid;2-(trifluoromethyl)benzenecarboximidamide
PubChem CID122360504
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameacetic acid;2-(trifluoromethyl)benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3N2.C2H4O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;1-2(3)4/h1-4H,(H3,12,13);1H3,(H,3,4)
InChIKeyHXJWFWLVXHJWQA-UHFFFAOYSA-N
XLogP2.08
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.08
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'}

Analyze acetic acid;2-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 159370745
acetic acid;4-(trifluoromethyl)benzenecarboximidamide
CID 67344222
N-(2-iminopropyl)-2-(trifluoromethyl)benzamide
CID 145390070
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
CID 162550833
2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 159696978
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
ethyl (Z)-2-methyl-3-[2-(trifluoromethyl)phenyl]but-2-enoate
CID 113420082
methyl 2-(trifluoromethyl)benzoate
CID 2775578

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of acetic acid;2-(trifluoromethyl)benzenecarboximidamide (CID 122360504) is acetic acid;2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for acetic acid;2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for acetic acid;2-(trifluoromethyl)benzenecarboximidamide is CC(=O)O.[H]/N=C(\N)c1ccccc1C(F)(F)F.
What is the InChIKey of acetic acid;2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is HXJWFWLVXHJWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2.C2H4O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;1-2(3)4/h1-4H,(H3,12,13);1H3,(H,3,4).
What are the key properties of acetic acid;2-(trifluoromethyl)benzenecarboximidamide?
acetic acid;2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 248.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 122360504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).