(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine

C12H15F2NO — CID 86321771

IUPAC(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1cccc(F)c1COC[C@H]1CCNC1
InChIInChI=1S/C12H15F2NO/c13-11-2-1-3-12(14)10(11)8-16-7-9-4-5-15-6-9/h1-3,9,15H,4-8H2/t9-/m0/s1
InChIKeyTUHREEQQBCTELA-VIFPVBQESA-N
MW227.25 g/mol
LogP2.09
Rot. Bonds4

About (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine

(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine (PubChem CID 86321771) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
PubChem CID86321771
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1cccc(F)c1COC[C@H]1CCNC1
InChIInChI=1S/C12H15F2NO/c13-11-2-1-3-12(14)10(11)8-16-7-9-4-5-15-6-9/h1-3,9,15H,4-8H2/t9-/m0/s1
InChIKeyTUHREEQQBCTELA-VIFPVBQESA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine (CID 86321771) is (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine is Fc1cccc(F)c1COC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is TUHREEQQBCTELA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-2-1-3-12(14)10(11)8-16-7-9-4-5-15-6-9/h1-3,9,15H,4-8H2/t9-/m0/s1.
What are the key properties of (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine?
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 86321771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).