(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine

C11H13F2NO — CID 86317833

IUPAC(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
SMILESFc1ccc(OC[C@@H]2CCNC2)cc1F
InChIInChI=1S/C11H13F2NO/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2/t8-/m1/s1
InChIKeyMZTUWRDTMJYPBH-MRVPVSSYSA-N
MW213.23 g/mol
LogP1.95
Rot. Bonds3

About (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine

(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine (PubChem CID 86317833) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
PubChem CID86317833
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
SMILESFc1ccc(OC[C@@H]2CCNC2)cc1F
InChIInChI=1S/C11H13F2NO/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2/t8-/m1/s1
InChIKeyMZTUWRDTMJYPBH-MRVPVSSYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[(3,4-difluorophenoxy)methyl]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

4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
3-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102747174
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
2-fluoro-4-(piperidin-3-ylmethoxy)aniline;dihydrochloride
CID 164576780
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine?
The IUPAC name of (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine (CID 86317833) is (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine is Fc1ccc(OC[C@@H]2CCNC2)cc1F.
What is the InChIKey of (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine?
The InChIKey is MZTUWRDTMJYPBH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-10-2-1-9(5-11(10)13)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2/t8-/m1/s1.
What are the key properties of (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine?
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 86317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).