(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine

C13H14FN — CID 175961050

IUPAC(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESFc1ccc([C@H]2CCC3=CCCN32)cc1
InChIInChI=1S/C13H14FN/c14-11-5-3-10(4-6-11)13-8-7-12-2-1-9-15(12)13/h2-6,13H,1,7-9H2/t13-/m1/s1
InChIKeyRJOINSDWTYPBJC-CYBMUJFWSA-N
MW203.26 g/mol
LogP3.25
Rot. Bonds1

About (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine

(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (PubChem CID 175961050) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
PubChem CID175961050
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESFc1ccc([C@H]2CCC3=CCCN32)cc1
InChIInChI=1S/C13H14FN/c14-11-5-3-10(4-6-11)13-8-7-12-2-1-9-15(12)13/h2-6,13H,1,7-9H2/t13-/m1/s1
InChIKeyRJOINSDWTYPBJC-CYBMUJFWSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2-(4-methylphenyl)pyrrolidine
CID 159405630
(7S)-7-(4-fluorophenyl)-1-phenyl-1,4-diazepane
CID 124565935
2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
CID 154749859
2-(4-fluorophenyl)-1-azabicyclo[2.2.1]heptan-7-one
CID 141480112
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-chloro-3-(4-fluorophenyl)pyrrolidine
CID 89031405
5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 71652003
2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 97009430
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The IUPAC name of (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (CID 175961050) is (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is Fc1ccc([C@H]2CCC3=CCCN32)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The InChIKey is RJOINSDWTYPBJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14FN/c14-11-5-3-10(4-6-11)13-8-7-12-2-1-9-15(12)13/h2-6,13H,1,7-9H2/t13-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
(3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine has a molecular weight of 203.26 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 175961050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).