2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole

C10H12FNO — CID 84657886

IUPAC2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(CF)C2
InChIInChI=1S/C10H12FNO/c1-13-9-4-2-3-7-5-8(6-11)12-10(7)9/h2-4,8,12H,5-6H2,1H3
InChIKeyHKJPAKFULGGKBM-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.00
Rot. Bonds2

About 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole

2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole (PubChem CID 84657886) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
PubChem CID84657886
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NC(CF)C2
InChIInChI=1S/C10H12FNO/c1-13-9-4-2-3-7-5-8(6-11)12-10(7)9/h2-4,8,12H,5-6H2,1H3
InChIKeyHKJPAKFULGGKBM-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole (CID 84657886) is 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole is COc1cccc2c1NC(CF)C2.
What is the InChIKey of 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The InChIKey is HKJPAKFULGGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-13-9-4-2-3-7-5-8(6-11)12-10(7)9/h2-4,8,12H,5-6H2,1H3.
What are the key properties of 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole has a molecular weight of 181.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-7-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 84657886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).