(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole

C10H12FNO — CID 170628668

IUPAC(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole
SMILESCOC[C@H]1Cc2c(F)cccc2N1
InChIInChI=1S/C10H12FNO/c1-13-6-7-5-8-9(11)3-2-4-10(8)12-7/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1
InChIKeyUHLQRBQQMQXQII-SSDOTTSWSA-N
MW181.21 g/mol
LogP1.81
Rot. Bonds2

About (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole

(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole (PubChem CID 170628668) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole
PubChem CID170628668
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole
SMILESCOC[C@H]1Cc2c(F)cccc2N1
InChIInChI=1S/C10H12FNO/c1-13-6-7-5-8-9(11)3-2-4-10(8)12-7/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1
InChIKeyUHLQRBQQMQXQII-SSDOTTSWSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole?
The IUPAC name of (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole (CID 170628668) is (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole is COC[C@H]1Cc2c(F)cccc2N1.
What is the InChIKey of (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole?
The InChIKey is UHLQRBQQMQXQII-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12FNO/c1-13-6-7-5-8-9(11)3-2-4-10(8)12-7/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole?
(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole has a molecular weight of 181.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 170628668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).