(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol

C12H16FNO2 — CID 126793647

IUPAC(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(Cc2ccccc2F)C[C@H]1O
InChIInChI=1S/C12H16FNO2/c1-16-12-8-14(7-11(12)15)6-9-4-2-3-5-10(9)13/h2-5,11-12,15H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyNANDDHHJKCFCLH-VXGBXAGGSA-N
MW225.26 g/mol
LogP1.02
Rot. Bonds3

About (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol

(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol (PubChem CID 126793647) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
PubChem CID126793647
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(Cc2ccccc2F)C[C@H]1O
InChIInChI=1S/C12H16FNO2/c1-16-12-8-14(7-11(12)15)6-9-4-2-3-5-10(9)13/h2-5,11-12,15H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyNANDDHHJKCFCLH-VXGBXAGGSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
CID 166944800
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543111
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 70704457
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755
ethane;1-ethyl-4-methoxypyrrolidin-3-ol
CID 176573528
methyl 4-[[(3S,5R)-4-[(2-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367045
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 66807176
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol (CID 126793647) is (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol is CO[C@@H]1CN(Cc2ccccc2F)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol?
The InChIKey is NANDDHHJKCFCLH-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-16-12-8-14(7-11(12)15)6-9-4-2-3-5-10(9)13/h2-5,11-12,15H,6-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol?
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 126793647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).