(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine

C11H13ClFNO — CID 102820220

IUPAC(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
SMILESFc1cc(OC[C@@H]2CCCN2)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyQGCFTKHAWVLWDS-QMMMGPOBSA-N
MW229.68 g/mol
LogP2.61
Rot. Bonds3

About (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine

(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine (PubChem CID 102820220) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
PubChem CID102820220
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
SMILESFc1cc(OC[C@@H]2CCCN2)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyQGCFTKHAWVLWDS-QMMMGPOBSA-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

2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine (CID 102820220) is (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine is Fc1cc(OC[C@@H]2CCCN2)ccc1Cl.
What is the InChIKey of (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine?
The InChIKey is QGCFTKHAWVLWDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine?
(2S)-2-[(4-chloro-3-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 (2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 102820220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).