3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine

C13H16FNO — CID 121199381

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
SMILESFCC1CNCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16FNO/c14-6-11-7-15-8-12(11)9-1-2-13-10(5-9)3-4-16-13/h1-2,5,11-12,15H,3-4,6-8H2
InChIKeyPOSPEQOBZJHEEP-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.89
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine

3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine (PubChem CID 121199381) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
PubChem CID121199381
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
SMILESFCC1CNCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C13H16FNO/c14-6-11-7-15-8-12(11)9-1-2-13-10(5-9)3-4-16-13/h1-2,5,11-12,15H,3-4,6-8H2
InChIKeyPOSPEQOBZJHEEP-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
CID 121199351
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
(3R,4R)-3-(1,3-benzodioxol-5-yl)-4-(fluoromethyl)pyrrolidine
CID 129494013
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
CID 79320311
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 104545295
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
(2S,3R)-2-benzyl-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 142120770

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine (CID 121199381) is 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine is FCC1CNCC1c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine?
The InChIKey is POSPEQOBZJHEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-6-11-7-15-8-12(11)9-1-2-13-10(5-9)3-4-16-13/h1-2,5,11-12,15H,3-4,6-8H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine?
3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine is sourced from PubChem (CID 121199381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).