2-(4,4-difluoroindol-3-yl)ethanamine

C10H10F2N2 — CID 175941540

IUPAC2-(4,4-difluoroindol-3-yl)ethanamine
SMILESNCCC1=C2C(=CC=CC2(F)F)N=C1
InChIInChI=1S/C10H10F2N2/c11-10(12)4-1-2-8-9(10)7(3-5-13)6-14-8/h1-2,4,6H,3,5,13H2
InChIKeyYOHDLHMBJVZXHZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.81
Rot. Bonds2

About 2-(4,4-difluoroindol-3-yl)ethanamine

2-(4,4-difluoroindol-3-yl)ethanamine (PubChem CID 175941540) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(4,4-difluoroindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoroindol-3-yl)ethanamine
PubChem CID175941540
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(4,4-difluoroindol-3-yl)ethanamine
SMILESNCCC1=C2C(=CC=CC2(F)F)N=C1
InChIInChI=1S/C10H10F2N2/c11-10(12)4-1-2-8-9(10)7(3-5-13)6-14-8/h1-2,4,6H,3,5,13H2
InChIKeyYOHDLHMBJVZXHZ-UHFFFAOYSA-N
XLogP1.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoroindol-3-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoroindol-3-yl)ethanamine (CID 175941540) is 2-(4,4-difluoroindol-3-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoroindol-3-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoroindol-3-yl)ethanamine is NCCC1=C2C(=CC=CC2(F)F)N=C1.
What is the InChIKey of 2-(4,4-difluoroindol-3-yl)ethanamine?
The InChIKey is YOHDLHMBJVZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-10(12)4-1-2-8-9(10)7(3-5-13)6-14-8/h1-2,4,6H,3,5,13H2.
What are the key properties of 2-(4,4-difluoroindol-3-yl)ethanamine?
2-(4,4-difluoroindol-3-yl)ethanamine has a molecular weight of 196.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoroindol-3-yl)ethanamine is sourced from PubChem (CID 175941540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).