(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine

C11H13ClFNO — CID 102820264

IUPAC(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
SMILESFc1c(Cl)cccc1OC[C@H]1CCCN1
InChIInChI=1S/C11H13ClFNO/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m1/s1
InChIKeyDDUCFRDPLSSXIG-MRVPVSSYSA-N
MW229.68 g/mol
LogP2.61
Rot. Bonds3

About (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine

(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine (PubChem CID 102820264) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
PubChem CID102820264
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
SMILESFc1c(Cl)cccc1OC[C@H]1CCCN1
InChIInChI=1S/C11H13ClFNO/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m1/s1
InChIKeyDDUCFRDPLSSXIG-MRVPVSSYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
2-[(3-chloro-2-nitrophenoxy)methyl]piperidine
CID 113459399
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine (CID 102820264) is (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine is Fc1c(Cl)cccc1OC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine?
The InChIKey is DDUCFRDPLSSXIG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine?
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine has a molecular weight of 229.68 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 102820264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).