acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine

C12H12F3NO3 — CID 88792745

IUPACacetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCC(=O)O.O/N=C1\CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H8F3NO.C2H4O2/c11-10(12,13)7-3-1-6-2-4-9(14-15)8(6)5-7;1-2(3)4/h1,3,5,15H,2,4H2;1H3,(H,3,4)/b14-9+;
InChIKeyUIFWXQZKBRZPJT-KYIGKLDSSA-N
MW275.23 g/mol
LogP2.92
Rot. Bonds

About acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine

acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 88792745) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID88792745
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Nameacetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCC(=O)O.O/N=C1\CCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H8F3NO.C2H4O2/c11-10(12,13)7-3-1-6-2-4-9(14-15)8(6)5-7;1-2(3)4/h1,3,5,15H,2,4H2;1H3,(H,3,4)/b14-9+;
InChIKeyUIFWXQZKBRZPJT-KYIGKLDSSA-N
XLogP2.92
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 88792745) is acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine is CC(=O)O.O/N=C1\CCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is UIFWXQZKBRZPJT-KYIGKLDSSA-N. The full InChI is InChI=1S/C10H8F3NO.C2H4O2/c11-10(12,13)7-3-1-6-2-4-9(14-15)8(6)5-7;1-2(3)4/h1,3,5,15H,2,4H2;1H3,(H,3,4)/b14-9+;.
What are the key properties of acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 275.23 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(NE)-N-[6-(trifluoromethyl)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 88792745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).