3-(3,4-difluorophenyl)-1-hydroxypyrrolidine

C10H11F2NO — CID 67174662

IUPAC3-(3,4-difluorophenyl)-1-hydroxypyrrolidine
SMILESON1CCC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H11F2NO/c11-9-2-1-7(5-10(9)12)8-3-4-13(14)6-8/h1-2,5,8,14H,3-4,6H2
InChIKeyQWRJORJMBNCIBA-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.14
Rot. Bonds1

About 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine

3-(3,4-difluorophenyl)-1-hydroxypyrrolidine (PubChem CID 67174662) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-hydroxypyrrolidine
PubChem CID67174662
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-(3,4-difluorophenyl)-1-hydroxypyrrolidine
SMILESON1CCC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H11F2NO/c11-9-2-1-7(5-10(9)12)8-3-4-13(14)6-8/h1-2,5,8,14H,3-4,6H2
InChIKeyQWRJORJMBNCIBA-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-1-propyl-pyrrolidine
CID 12101308
1-Propyl-3-(3-trifluoromethyl-phenyl)-pyrrolidine
CID 44460502
1-[3-(3-Fluorophenyl)propyl]pyrrolidine
CID 70681573
1-[2-(3-Fluorophenyl)ethyl]pyrrolidine
CID 70692139
1-Methyl-3-phenylpyrrolidine
CID 3791681
3-(4-Fluorophenyl)pyrrolidine
CID 3159729
3-(2-Fluorophenyl)pyrrolidine
CID 19882623
(R)-3-(m-fluorophenyl)pyrrolidine
CID 51638164
Hydroxylamine, N-ethyl-N-(alpha-methyl-m-(trifluoromethyl)phenethyl)-
CID 3040478
3-(3,4-Difluorophenyl)pyrrolidine
CID 23130853
3-(4-Fluorophenyl)pyrrolidine hydrochloride
CID 44120983
3-(3-Fluorophenyl)pyrrolidine hydrochloride
CID 45073972

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine?
The IUPAC name of 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine (CID 67174662) is 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine is ON1CCC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine?
The InChIKey is QWRJORJMBNCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-9-2-1-7(5-10(9)12)8-3-4-13(14)6-8/h1-2,5,8,14H,3-4,6H2.
What are the key properties of 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine?
3-(3,4-difluorophenyl)-1-hydroxypyrrolidine has a molecular weight of 199.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-hydroxypyrrolidine is sourced from PubChem (CID 67174662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).