(4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone

C11H19FN2O — CID 84723655

IUPAC(4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(F)CCCNCC1
InChIInChI=1S/C11H19FN2O/c12-11(4-3-6-13-7-5-11)10(15)14-8-1-2-9-14/h13H,1-9H2
InChIKeyGKZBLSMPCKEXOJ-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.09
Rot. Bonds1

About (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone

(4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 84723655) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID84723655
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(F)CCCNCC1
InChIInChI=1S/C11H19FN2O/c12-11(4-3-6-13-7-5-11)10(15)14-8-1-2-9-14/h13H,1-9H2
InChIKeyGKZBLSMPCKEXOJ-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone (CID 84723655) is (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(F)CCCNCC1.
What is the InChIKey of (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GKZBLSMPCKEXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c12-11(4-3-6-13-7-5-11)10(15)14-8-1-2-9-14/h13H,1-9H2.
What are the key properties of (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone?
(4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 214.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoroazepan-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 84723655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).