2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine

C11H7F7N2 — CID 176899133

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine
SMILESNc1c(C(F)(C(F)(F)F)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C11H7F7N2/c12-9(10(13,14)15,11(16,17)18)8-7(19)5-3-1-2-4-6(5)20-8/h1-4,20H,19H2
InChIKeyVWMPGEUEKIQXEK-UHFFFAOYSA-N
MW300.18 g/mol
LogP4.04
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine (PubChem CID 176899133) has the molecular formula C11H7F7N2 and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine
PubChem CID176899133
Molecular FormulaC11H7F7N2
Molecular Weight300.18 g/mol
Exact Mass300.05
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine
SMILESNc1c(C(F)(C(F)(F)F)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C11H7F7N2/c12-9(10(13,14)15,11(16,17)18)8-7(19)5-3-1-2-4-6(5)20-8/h1-4,20H,19H2
InChIKeyVWMPGEUEKIQXEK-UHFFFAOYSA-N
XLogP4.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine (CID 176899133) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine is Nc1c(C(F)(C(F)(F)F)C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine?
The InChIKey is VWMPGEUEKIQXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7N2/c12-9(10(13,14)15,11(16,17)18)8-7(19)5-3-1-2-4-6(5)20-8/h1-4,20H,19H2.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine has a molecular weight of 300.18 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indol-3-amine is sourced from PubChem (CID 176899133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).