(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole

C10H12FN — CID 170593238

IUPAC(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
SMILESCC1Nc2ccc(F)cc2[C@@H]1C
InChIInChI=1S/C10H12FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7,12H,1-2H3/t6-,7?/m1/s1
InChIKeyFTPWFFDMJLLGQU-ULUSZKPHSA-N
MW165.21 g/mol
LogP2.74
Rot. Bonds

About (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole

(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole (PubChem CID 170593238) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
PubChem CID170593238
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
SMILESCC1Nc2ccc(F)cc2[C@@H]1C
InChIInChI=1S/C10H12FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7,12H,1-2H3/t6-,7?/m1/s1
InChIKeyFTPWFFDMJLLGQU-ULUSZKPHSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
CID 88564101
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
6-fluoro-3,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 84618460
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 83914941
5-fluoro-3-methyl-1,3-dihydroindole-2-thione
CID 21273363
(2S,3S)-4-[[(2R,3R)-2,3-dimethyl-2,3-dihydro-1H-indol-5-yl]methyl]-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170020472
7-fluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84619291
(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 22818645
(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-indole;hydrochloride
CID 12746867
3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
CID 84669875
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904

Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole (CID 170593238) is (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole is CC1Nc2ccc(F)cc2[C@@H]1C.
What is the InChIKey of (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is FTPWFFDMJLLGQU-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H12FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-7,12H,1-2H3/t6-,7?/m1/s1.
What are the key properties of (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole?
(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 165.21 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 170593238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).