(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine

C17H17F2NO — CID 66924540

IUPAC(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
SMILESFc1ccc(OC(c2ccccc2)[C@H]2CCNC2)c(F)c1
InChIInChI=1S/C17H17F2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17?/m0/s1
InChIKeyKXRRNOJECCYJIA-CWQZNGJJSA-N
MW289.33 g/mol
LogP3.69
Rot. Bonds4

About (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine

(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine (PubChem CID 66924540) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
PubChem CID66924540
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
SMILESFc1ccc(OC(c2ccccc2)[C@H]2CCNC2)c(F)c1
InChIInChI=1S/C17H17F2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17?/m0/s1
InChIKeyKXRRNOJECCYJIA-CWQZNGJJSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
CID 59039062
2,3,5-trifluoro-6-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 46946622
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077
2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 87135499
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
3-[(R)-(2-chloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 46946035
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine (CID 66924540) is (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine is Fc1ccc(OC(c2ccccc2)[C@H]2CCNC2)c(F)c1.
What is the InChIKey of (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is KXRRNOJECCYJIA-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17?/m0/s1.
What are the key properties of (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine?
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 289.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 66924540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).