(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole

C10H10F3N — CID 130642989

IUPAC(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCc1cccc2c1N[C@@H](C(F)(F)F)C2
InChIInChI=1S/C10H10F3N/c1-6-3-2-4-7-5-8(10(11,12)13)14-9(6)7/h2-4,8,14H,5H2,1H3/t8-/m1/s1
InChIKeyNLDJOTUHFARHKJ-MRVPVSSYSA-N
MW201.19 g/mol
LogP2.89
Rot. Bonds

About (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole

(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 130642989) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID130642989
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCc1cccc2c1N[C@@H](C(F)(F)F)C2
InChIInChI=1S/C10H10F3N/c1-6-3-2-4-7-5-8(10(11,12)13)14-9(6)7/h2-4,8,14H,5H2,1H3/t8-/m1/s1
InChIKeyNLDJOTUHFARHKJ-MRVPVSSYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 130642989) is (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole is Cc1cccc2c1N[C@@H](C(F)(F)F)C2.
What is the InChIKey of (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is NLDJOTUHFARHKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-6-3-2-4-7-5-8(10(11,12)13)14-9(6)7/h2-4,8,14H,5H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 201.19 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 130642989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).