(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]

C12H14FN — CID 86327550

IUPAC(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
SMILESFc1ccc2c(c1)CC[C@]21CCCN1
InChIInChI=1S/C12H14FN/c13-10-2-3-11-9(8-10)4-6-12(11)5-1-7-14-12/h2-3,8,14H,1,4-7H2/t12-/m1/s1
InChIKeyMCQVKKSUGHTDKI-GFCCVEGCSA-N
MW191.25 g/mol
LogP2.35
Rot. Bonds

About (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]

(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine] (PubChem CID 86327550) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine].

Molecular Properties

Compound Name(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
PubChem CID86327550
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
SMILESFc1ccc2c(c1)CC[C@]21CCCN1
InChIInChI=1S/C12H14FN/c13-10-2-3-11-9(8-10)4-6-12(11)5-1-7-14-12/h2-3,8,14H,1,4-7H2/t12-/m1/s1
InChIKeyMCQVKKSUGHTDKI-GFCCVEGCSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
7-chlorospiro[2,3,4,5-tetrahydro-2-benzazepine-1,1'-cyclopropane]
CID 115025622
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-ol
CID 175046084
5-fluorospiro[1,2-dihydroisoindole-3,1'-cyclopropane]
CID 115012818
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
6,7-difluorospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 117273958
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
6-ethylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 138553902
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
6-fluoro-5'-methylspiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 116532160
(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 137495957

Frequently Asked Questions

What is the IUPAC name of (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
The IUPAC name of (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine] (CID 86327550) is (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine].
What is the SMILES notation for (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
The canonical SMILES for (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine] is Fc1ccc2c(c1)CC[C@]21CCCN1.
What is the InChIKey of (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
The InChIKey is MCQVKKSUGHTDKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14FN/c13-10-2-3-11-9(8-10)4-6-12(11)5-1-7-14-12/h2-3,8,14H,1,4-7H2/t12-/m1/s1.
What are the key properties of (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]?
(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine] has a molecular weight of 191.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine] is sourced from PubChem (CID 86327550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).