[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol

C14H20FNO2 — CID 166137267

IUPAC[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
SMILESCN1C[C@H](F)CC1(CO)COCc1ccccc1
InChIInChI=1S/C14H20FNO2/c1-16-8-13(15)7-14(16,10-17)11-18-9-12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3/t13-,14?/m1/s1
InChIKeyXHPMPNKMWJBGJN-KWCCSABGSA-N
MW253.32 g/mol
LogP1.61
Rot. Bonds5

About [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol

[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 166137267) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
PubChem CID166137267
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
SMILESCN1C[C@H](F)CC1(CO)COCc1ccccc1
InChIInChI=1S/C14H20FNO2/c1-16-8-13(15)7-14(16,10-17)11-18-9-12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3/t13-,14?/m1/s1
InChIKeyXHPMPNKMWJBGJN-KWCCSABGSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol (CID 166137267) is [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol is CN1C[C@H](F)CC1(CO)COCc1ccccc1.
What is the InChIKey of [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XHPMPNKMWJBGJN-KWCCSABGSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-8-13(15)7-14(16,10-17)11-18-9-12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3/t13-,14?/m1/s1.
What are the key properties of [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol?
[(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-fluoro-1-methyl-2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 166137267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).