N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine

C11H8F4N2O — CID 76655437

IUPACN-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine
SMILESON=C(Cc1c[nH]c2ccc(F)cc12)C(F)(F)F
InChIInChI=1S/C11H8F4N2O/c12-7-1-2-9-8(4-7)6(5-16-9)3-10(17-18)11(13,14)15/h1-2,4-5,16,18H,3H2
InChIKeyFLVZFVZDMIRVQH-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.24
Rot. Bonds2

About N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine

N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine (PubChem CID 76655437) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine
PubChem CID76655437
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC NameN-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine
SMILESON=C(Cc1c[nH]c2ccc(F)cc12)C(F)(F)F
InChIInChI=1S/C11H8F4N2O/c12-7-1-2-9-8(4-7)6(5-16-9)3-10(17-18)11(13,14)15/h1-2,4-5,16,18H,3H2
InChIKeyFLVZFVZDMIRVQH-UHFFFAOYSA-N
XLogP3.24
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine 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

(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
5-fluoro-1H-indol-3-ol
CID 90083452
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
CID 58748813
CID 58748813
1-tert-butyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111547136
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine (CID 76655437) is N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine is ON=C(Cc1c[nH]c2ccc(F)cc12)C(F)(F)F.
What is the InChIKey of N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is FLVZFVZDMIRVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c12-7-1-2-9-8(4-7)6(5-16-9)3-10(17-18)11(13,14)15/h1-2,4-5,16,18H,3H2.
What are the key properties of N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine?
N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 260.19 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 76655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).