(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

C11H13F2NO — CID 135381565

IUPAC(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
SMILESCO[C@]1(c2cccc(F)c2F)CCNC1
InChIInChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1
InChIKeyLJNFYMMXCXGFCP-LLVKDONJSA-N
MW213.23 g/mol
LogP1.80
Rot. Bonds2

About (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine (PubChem CID 135381565) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
PubChem CID135381565
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
SMILESCO[C@]1(c2cccc(F)c2F)CCNC1
InChIInChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1
InChIKeyLJNFYMMXCXGFCP-LLVKDONJSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 200556
3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280
Fludorex
CID 27139
2-(3-Fluorophenyl)-3-methylmorpholine
CID 54673723
2-Methyl-2-phenylmorpholine
CID 3066037
3-Phenylpyrrolidin-3-ol
CID 200281
US9790230, Example 106
CID 118859503
2-Methyl-2-phenylmorpholine hydrochloride
CID 3066036
Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
CID 207926
2-(4-Fluorophenyl)-2-methylmorpholine--hydrogen chloride (1/1)
CID 3066046
3-Pyrrolidinol, 2-methyl-3-phenyl-, propionate (ester)
CID 21149689
2-(4-Fluorophenyl)morpholine
CID 3749227

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
The IUPAC name of (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine (CID 135381565) is (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine.
What is the SMILES notation for (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
The canonical SMILES for (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine is CO[C@]1(c2cccc(F)c2F)CCNC1.
What is the InChIKey of (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
The InChIKey is LJNFYMMXCXGFCP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 135381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).