(3S)-3-(2,3-difluorophenoxy)pyrrolidine

C10H11F2NO — CID 94987117

IUPAC(3S)-3-(2,3-difluorophenoxy)pyrrolidine
SMILESFc1cccc(O[C@H]2CCNC2)c1F
InChIInChI=1S/C10H11F2NO/c11-8-2-1-3-9(10(8)12)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m0/s1
InChIKeyIKESORRSNRSGQF-ZETCQYMHSA-N
MW199.20 g/mol
LogP1.71
Rot. Bonds2

About (3S)-3-(2,3-difluorophenoxy)pyrrolidine

(3S)-3-(2,3-difluorophenoxy)pyrrolidine (PubChem CID 94987117) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (3S)-3-(2,3-difluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,3-difluorophenoxy)pyrrolidine
PubChem CID94987117
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(3S)-3-(2,3-difluorophenoxy)pyrrolidine
SMILESFc1cccc(O[C@H]2CCNC2)c1F
InChIInChI=1S/C10H11F2NO/c11-8-2-1-3-9(10(8)12)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m0/s1
InChIKeyIKESORRSNRSGQF-ZETCQYMHSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
4-(2-chloro-3-fluorophenoxy)piperidine
CID 154662449
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
CID 84699011
(3R)-3-(2-ethoxyphenoxy)pyrrolidine
CID 26191976

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-difluorophenoxy)pyrrolidine?
The IUPAC name of (3S)-3-(2,3-difluorophenoxy)pyrrolidine (CID 94987117) is (3S)-3-(2,3-difluorophenoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(2,3-difluorophenoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(2,3-difluorophenoxy)pyrrolidine is Fc1cccc(O[C@H]2CCNC2)c1F.
What is the InChIKey of (3S)-3-(2,3-difluorophenoxy)pyrrolidine?
The InChIKey is IKESORRSNRSGQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-2-1-3-9(10(8)12)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m0/s1.
What are the key properties of (3S)-3-(2,3-difluorophenoxy)pyrrolidine?
(3S)-3-(2,3-difluorophenoxy)pyrrolidine has a molecular weight of 199.20 g/mol, XLogP of 1.71, 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-difluorophenoxy)pyrrolidine is sourced from PubChem (CID 94987117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).