[(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol

C17H20FNO2 — CID 97157586

IUPAC[(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1c(F)cccc1-c1ccc(CN2CCC[C@@H]2CO)o1
InChIInChI=1S/C17H20FNO2/c1-12-15(5-2-6-16(12)18)17-8-7-14(21-17)10-19-9-3-4-13(19)11-20/h2,5-8,13,20H,3-4,9-11H2,1H3/t13-/m1/s1
InChIKeyGSNHQDNGQVONHH-CYBMUJFWSA-N
MW289.35 g/mol
LogP3.35
Rot. Bonds4

About [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 97157586) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID97157586
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name[(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1c(F)cccc1-c1ccc(CN2CCC[C@@H]2CO)o1
InChIInChI=1S/C17H20FNO2/c1-12-15(5-2-6-16(12)18)17-8-7-14(21-17)10-19-9-3-4-13(19)11-20/h2,5-8,13,20H,3-4,9-11H2,1H3/t13-/m1/s1
InChIKeyGSNHQDNGQVONHH-CYBMUJFWSA-N
XLogP3.35
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 97157586) is [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol is Cc1c(F)cccc1-c1ccc(CN2CCC[C@@H]2CO)o1.
What is the InChIKey of [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is GSNHQDNGQVONHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-15(5-2-6-16(12)18)17-8-7-14(21-17)10-19-9-3-4-13(19)11-20/h2,5-8,13,20H,3-4,9-11H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 289.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 97157586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).