(3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine

C16H21ClFN — CID 164603400

IUPAC(3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine
SMILESCC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CC[C@H](F)C1
InChIInChI=1S/C16H21ClFN/c1-10(2)15-14(19-7-6-12(18)9-19)8-11-4-3-5-13(17)16(11)15/h3-5,10,12,14-15H,6-9H2,1-2H3/t12-,14+,15-/m0/s1
InChIKeyKXFZWXMDHGODAB-CFVMTHIKSA-N
MW281.80 g/mol
LogP4.05
Rot. Bonds2

About (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine

(3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine (PubChem CID 164603400) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine
PubChem CID164603400
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC Name(3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine
SMILESCC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CC[C@H](F)C1
InChIInChI=1S/C16H21ClFN/c1-10(2)15-14(19-7-6-12(18)9-19)8-11-4-3-5-13(17)16(11)15/h3-5,10,12,14-15H,6-9H2,1-2H3/t12-,14+,15-/m0/s1
InChIKeyKXFZWXMDHGODAB-CFVMTHIKSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260325
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260277
3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 13543790
(1R,3R)-3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 13543794
[3-(3-Chloro-phenyl)-indan-1-yl]-dimethyl-amine; hydrochloride
CID 13543917
3-(7-chloro-3H-inden-1-yl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 57830193
(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 70520507
3-(3-Chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 70971643
1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
CID 122576268
3-(3-Chloro-2-fluorophenyl)-1,5-dimethyl-2-prop-1-en-2-ylpyrrolidine
CID 156157272
(3S,4R)-1-[(1R,2R)-7-chloro-1-methyl-2,3-dihydro-1H-inden-2-yl]-4-fluoropyrrolidin-3-ol
CID 164603209
(3R,4S)-1-[(1R,2R)-7-chloro-1-methyl-2,3-dihydro-1H-inden-2-yl]-4-fluoropyrrolidin-3-ol
CID 164603338

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine?
The IUPAC name of (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine (CID 164603400) is (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine?
The canonical SMILES for (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine is CC(C)[C@@H]1c2c(Cl)cccc2C[C@H]1N1CC[C@H](F)C1.
What is the InChIKey of (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine?
The InChIKey is KXFZWXMDHGODAB-CFVMTHIKSA-N. The full InChI is InChI=1S/C16H21ClFN/c1-10(2)15-14(19-7-6-12(18)9-19)8-11-4-3-5-13(17)16(11)15/h3-5,10,12,14-15H,6-9H2,1-2H3/t12-,14+,15-/m0/s1.
What are the key properties of (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine?
(3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine has a molecular weight of 281.80 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R,2R)-7-chloro-1-propan-2-yl-2,3-dihydro-1H-inden-2-yl]-3-fluoropyrrolidine is sourced from PubChem (CID 164603400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).