(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole

C16H16FN — CID 135054757

IUPAC(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
SMILESC[C@H]1CN(Cc2ccccc2)c2cccc(F)c21
InChIInChI=1S/C16H16FN/c1-12-10-18(11-13-6-3-2-4-7-13)15-9-5-8-14(17)16(12)15/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyLTSLVHYUWIGLIE-LBPRGKRZSA-N
MW241.31 g/mol
LogP3.95
Rot. Bonds2

About (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole

(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole (PubChem CID 135054757) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
PubChem CID135054757
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
SMILESC[C@H]1CN(Cc2ccccc2)c2cccc(F)c21
InChIInChI=1S/C16H16FN/c1-12-10-18(11-13-6-3-2-4-7-13)15-9-5-8-14(17)16(12)15/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyLTSLVHYUWIGLIE-LBPRGKRZSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
CID 15437709
(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 101357683
1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 171430341
(3S)-4-benzyl-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 93322662
4-benzyl-2-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 83523743
1-benzyl-4-fluoroindole-2,3-dione
CID 73294017
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82981195
1-benzyl-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 4065112
1-benzyl-5-chloro-2,3-dihydroindol-3-amine
CID 45043255
1-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079828
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole?
The IUPAC name of (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole (CID 135054757) is (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole.
What is the SMILES notation for (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole?
The canonical SMILES for (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole is C[C@H]1CN(Cc2ccccc2)c2cccc(F)c21.
What is the InChIKey of (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole?
The InChIKey is LTSLVHYUWIGLIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FN/c1-12-10-18(11-13-6-3-2-4-7-13)15-9-5-8-14(17)16(12)15/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole?
(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole has a molecular weight of 241.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole is sourced from PubChem (CID 135054757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).