[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone

C16H20FNO2 — CID 174959180

IUPAC[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone
SMILESO=C([C@H]1CCCCO1)N1CCCC1c1ccccc1F
InChIInChI=1S/C16H20FNO2/c17-13-7-2-1-6-12(13)14-8-5-10-18(14)16(19)15-9-3-4-11-20-15/h1-2,6-7,14-15H,3-5,8-11H2/t14?,15-/m1/s1
InChIKeyBQQSJKVIBQYHIV-YSSOQSIOSA-N
MW277.34 g/mol
LogP3.06
Rot. Bonds2

About [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone

[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone (PubChem CID 174959180) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone
PubChem CID174959180
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone
SMILESO=C([C@H]1CCCCO1)N1CCCC1c1ccccc1F
InChIInChI=1S/C16H20FNO2/c17-13-7-2-1-6-12(13)14-8-5-10-18(14)16(19)15-9-3-4-11-20-15/h1-2,6-7,14-15H,3-5,8-11H2/t14?,15-/m1/s1
InChIKeyBQQSJKVIBQYHIV-YSSOQSIOSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone (CID 174959180) is [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone is O=C([C@H]1CCCCO1)N1CCCC1c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone?
The InChIKey is BQQSJKVIBQYHIV-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-13-7-2-1-6-12(13)14-8-5-10-18(14)16(19)15-9-3-4-11-20-15/h1-2,6-7,14-15H,3-5,8-11H2/t14?,15-/m1/s1.
What are the key properties of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone?
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone has a molecular weight of 277.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[(2R)-oxan-2-yl]methanone is sourced from PubChem (CID 174959180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).