3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline

C14H12F2N2 — CID 103493897

IUPAC3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
SMILESNc1cc(F)cc(N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C14H12F2N2/c15-10-2-1-9-3-4-18(14(9)7-10)13-6-11(16)5-12(17)8-13/h1-2,5-8H,3-4,17H2
InChIKeyHQDLCHXJLDNXIH-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.24
Rot. Bonds1

About 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline

3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline (PubChem CID 103493897) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
PubChem CID103493897
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC Name3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
SMILESNc1cc(F)cc(N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C14H12F2N2/c15-10-2-1-9-3-4-18(14(9)7-10)13-6-11(16)5-12(17)8-13/h1-2,5-8H,3-4,17H2
InChIKeyHQDLCHXJLDNXIH-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
CID 122476442
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline?
The IUPAC name of 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline (CID 103493897) is 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline.
What is the SMILES notation for 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline?
The canonical SMILES for 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline is Nc1cc(F)cc(N2CCc3ccc(F)cc32)c1.
What is the InChIKey of 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline?
The InChIKey is HQDLCHXJLDNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2/c15-10-2-1-9-3-4-18(14(9)7-10)13-6-11(16)5-12(17)8-13/h1-2,5-8H,3-4,17H2.
What are the key properties of 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline?
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline has a molecular weight of 246.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline is sourced from PubChem (CID 103493897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).