[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone

C17H20FNO3 — CID 100671948

IUPAC[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone
SMILESCC1=C(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1
InChIInChI=1S/C17H20FNO3/c1-11-15(3-2-8-22-11)17(21)19-10-14(20)9-16(19)12-4-6-13(18)7-5-12/h4-7,14,16,20H,2-3,8-10H2,1H3/t14-,16-/m1/s1
InChIKeyVSLNIXLEBROZKU-GDBMZVCRSA-N
MW305.35 g/mol
LogP2.54
Rot. Bonds2

About [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone

[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 100671948) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID100671948
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone
SMILESCC1=C(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1
InChIInChI=1S/C17H20FNO3/c1-11-15(3-2-8-22-11)17(21)19-10-14(20)9-16(19)12-4-6-13(18)7-5-12/h4-7,14,16,20H,2-3,8-10H2,1H3/t14-,16-/m1/s1
InChIKeyVSLNIXLEBROZKU-GDBMZVCRSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone (CID 100671948) is [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone is CC1=C(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1.
What is the InChIKey of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is VSLNIXLEBROZKU-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-11-15(3-2-8-22-11)17(21)19-10-14(20)9-16(19)12-4-6-13(18)7-5-12/h4-7,14,16,20H,2-3,8-10H2,1H3/t14-,16-/m1/s1.
What are the key properties of [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone?
[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 305.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(6-methyl-3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 100671948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).