(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine

C12H16FNO — CID 22857692

IUPAC(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1COc1cccc(F)c1
InChIInChI=1S/C12H16FNO/c1-14-7-3-5-11(14)9-15-12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m1/s1
InChIKeyYMSPBBGEZQILFC-LLVKDONJSA-N
MW209.26 g/mol
LogP2.30
Rot. Bonds3

About (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine

(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine (PubChem CID 22857692) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
PubChem CID22857692
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1COc1cccc(F)c1
InChIInChI=1S/C12H16FNO/c1-14-7-3-5-11(14)9-15-12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m1/s1
InChIKeyYMSPBBGEZQILFC-LLVKDONJSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54017583
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine (CID 22857692) is (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine is CN1CCC[C@@H]1COc1cccc(F)c1.
What is the InChIKey of (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine?
The InChIKey is YMSPBBGEZQILFC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-7-3-5-11(14)9-15-12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine?
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 22857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).