(3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

C16H22FNO — CID 171443189

IUPAC(3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESCC(C)[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C16H22FNO/c1-10(2)15-14(18-7-6-12(19)9-18)8-11-4-3-5-13(17)16(11)15/h3-5,10,12,14-15,19H,6-9H2,1-2H3/t12-,14-,15+/m1/s1
InChIKeyZDESRKPWQFHNIF-YUELXQCFSA-N
MW263.36 g/mol
LogP2.56
Rot. Bonds2

About (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

(3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 171443189) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID171443189
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESCC(C)[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C16H22FNO/c1-10(2)15-14(18-7-6-12(19)9-18)8-11-4-3-5-13(17)16(11)15/h3-5,10,12,14-15,19H,6-9H2,1-2H3/t12-,14-,15+/m1/s1
InChIKeyZDESRKPWQFHNIF-YUELXQCFSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-(dimethylamino)pyrrolidin-3-ol
CID 124214315
[(2R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-yl]methanol
CID 124892219
2-((2,3-Dihydro-1H-inden-2-yl)methylamino)ethanol
CID 21150327
(3R)-1-[(2R)-2-[3-[2-(trifluoromethyl)phenyl]propyl]cyclohexyl]pyrrolidin-3-ol
CID 68383346
1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
CID 122576268
(3S,4R)-1-[(1R,2R)-7-chloro-1-methyl-2,3-dihydro-1H-inden-2-yl]-4-fluoropyrrolidin-3-ol
CID 164603209
(3R)-1-[(1R,2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 164603258
(3R)-1-[(1R,2R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 164603293
(3R,4S)-1-[(1R,2R)-7-chloro-1-methyl-2,3-dihydro-1H-inden-2-yl]-4-fluoropyrrolidin-3-ol
CID 164603338
1-[(2R)-7-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
CID 164603345
(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
CID 164603562
(3R,4R)-4-fluoro-1-(9-phenylfluoren-9-yl)pyrrolidin-3-ol
CID 170284280

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 171443189) is (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is CC(C)[C@@H]1c2c(F)cccc2C[C@H]1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is ZDESRKPWQFHNIF-YUELXQCFSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10(2)15-14(18-7-6-12(19)9-18)8-11-4-3-5-13(17)16(11)15/h3-5,10,12,14-15,19H,6-9H2,1-2H3/t12-,14-,15+/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol has a molecular weight of 263.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-7-fluoro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 171443189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).