(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine

C15H15Cl2NO2 — CID 66752351

IUPAC(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine
SMILESClc1cc(Cl)cc(O[C@@H](c2ccoc2)[C@H]2CCNC2)c1
InChIInChI=1S/C15H15Cl2NO2/c16-12-5-13(17)7-14(6-12)20-15(10-1-3-18-8-10)11-2-4-19-9-11/h2,4-7,9-10,15,18H,1,3,8H2/t10-,15+/m0/s1
InChIKeyIOAAUTUYHHHRTC-ZUZCIYMTSA-N
MW312.20 g/mol
LogP4.32
Rot. Bonds4

About (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine

(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine (PubChem CID 66752351) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine
PubChem CID66752351
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine
SMILESClc1cc(Cl)cc(O[C@@H](c2ccoc2)[C@H]2CCNC2)c1
InChIInChI=1S/C15H15Cl2NO2/c16-12-5-13(17)7-14(6-12)20-15(10-1-3-18-8-10)11-2-4-19-9-11/h2,4-7,9-10,15,18H,1,3,8H2/t10-,15+/m0/s1
InChIKeyIOAAUTUYHHHRTC-ZUZCIYMTSA-N
XLogP4.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
CID 66854507
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752169
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine
CID 66892236
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
3,5-dichloro-2-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753028
3,5-dichloro-2-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752614
3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66752698
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine?
The IUPAC name of (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine (CID 66752351) is (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine is Clc1cc(Cl)cc(O[C@@H](c2ccoc2)[C@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine?
The InChIKey is IOAAUTUYHHHRTC-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-12-5-13(17)7-14(6-12)20-15(10-1-3-18-8-10)11-2-4-19-9-11/h2,4-7,9-10,15,18H,1,3,8H2/t10-,15+/m0/s1.
What are the key properties of (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine?
(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine has a molecular weight of 312.20 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 66752351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).