5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine

C9H9F3N2 — CID 162561099

IUPAC5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine
SMILESNC1=C(C(F)(F)F)CC2C=CNC2=C1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)6-3-5-1-2-14-8(5)4-7(6)13/h1-2,4-5,14H,3,13H2
InChIKeyBRZQTLBBAWBNLE-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.78
Rot. Bonds

About 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine

5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine (PubChem CID 162561099) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine
PubChem CID162561099
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine
SMILESNC1=C(C(F)(F)F)CC2C=CNC2=C1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)6-3-5-1-2-14-8(5)4-7(6)13/h1-2,4-5,14H,3,13H2
InChIKeyBRZQTLBBAWBNLE-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine?
The IUPAC name of 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine (CID 162561099) is 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine.
What is the SMILES notation for 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine?
The canonical SMILES for 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine is NC1=C(C(F)(F)F)CC2C=CNC2=C1.
What is the InChIKey of 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine?
The InChIKey is BRZQTLBBAWBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)6-3-5-1-2-14-8(5)4-7(6)13/h1-2,4-5,14H,3,13H2.
What are the key properties of 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine?
5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine has a molecular weight of 202.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3a,4-dihydro-1H-indol-6-amine is sourced from PubChem (CID 162561099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).