acetic acid;4-(trifluoromethyl)benzenecarboximidamide

C10H11F3N2O2 — CID 67344222

IUPACacetic acid;4-(trifluoromethyl)benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2.C2H4O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;1-2(3)4/h1-4H,(H3,12,13);1H3,(H,3,4)
InChIKeyFYYLZOKGOFWYEB-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.08
Rot. Bonds1

About acetic acid;4-(trifluoromethyl)benzenecarboximidamide

acetic acid;4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 67344222) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is acetic acid;4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Nameacetic acid;4-(trifluoromethyl)benzenecarboximidamide
PubChem CID67344222
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameacetic acid;4-(trifluoromethyl)benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2.C2H4O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;1-2(3)4/h1-4H,(H3,12,13);1H3,(H,3,4)
InChIKeyFYYLZOKGOFWYEB-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'}

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
CID 34178690
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
4-ethanimidoylbenzenecarboximidamide
CID 148687988
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
4-[2-(disulfanyl)propan-2-yl]benzenecarboximidamide
CID 166770354
N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
acetic acid;4-(1,3-dioxolan-2-yl)benzenecarboximidamide
CID 53487554
(2E,4E)-2,5-dimethyl-3,4-bis[4-(trifluoromethyl)phenyl]hexa-2,4-dienedioic acid
CID 146396186
2-methyl-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 141194647
3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of acetic acid;4-(trifluoromethyl)benzenecarboximidamide (CID 67344222) is acetic acid;4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for acetic acid;4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for acetic acid;4-(trifluoromethyl)benzenecarboximidamide is CC(=O)O.[H]/N=C(\N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of acetic acid;4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FYYLZOKGOFWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2.C2H4O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;1-2(3)4/h1-4H,(H3,12,13);1H3,(H,3,4).
What are the key properties of acetic acid;4-(trifluoromethyl)benzenecarboximidamide?
acetic acid;4-(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;4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 67344222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).