2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine

C11H13F3N2 — CID 62206048

IUPAC2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1Cc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C11H13F3N2/c12-11(13,14)10(5-15)16-6-8-3-1-2-4-9(8)7-16/h1-4,10H,5-7,15H2
InChIKeyOJHVRZVVYUGPGV-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.89
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine

2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 62206048) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID62206048
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1Cc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C11H13F3N2/c12-11(13,14)10(5-15)16-6-8-3-1-2-4-9(8)7-16/h1-4,10H,5-7,15H2
InChIKeyOJHVRZVVYUGPGV-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine (CID 62206048) is 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1Cc2ccccc2C1)C(F)(F)F.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is OJHVRZVVYUGPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)10(5-15)16-6-8-3-1-2-4-9(8)7-16/h1-4,10H,5-7,15H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine?
2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 230.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 62206048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).