[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone

C10H16FNO2 — CID 175876195

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC[C@H](F)C1
InChIInChI=1S/C10H16FNO2/c11-9-1-4-12(7-9)10(13)8-2-5-14-6-3-8/h8-9H,1-7H2/t9-/m0/s1
InChIKeyAKPMTNJABZMSPZ-VIFPVBQESA-N
MW201.24 g/mol
LogP0.98
Rot. Bonds1

About [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 175876195) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID175876195
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC[C@H](F)C1
InChIInChI=1S/C10H16FNO2/c11-9-1-4-12(7-9)10(13)8-2-5-14-6-3-8/h8-9H,1-7H2/t9-/m0/s1
InChIKeyAKPMTNJABZMSPZ-VIFPVBQESA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 175876195) is [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CC[C@H](F)C1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is AKPMTNJABZMSPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16FNO2/c11-9-1-4-12(7-9)10(13)8-2-5-14-6-3-8/h8-9H,1-7H2/t9-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 201.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 175876195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).