4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane

C11H18FNO — CID 102648259

IUPAC4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane
SMILESFC1(C2=CCCCO2)CCCNCC1
InChIInChI=1S/C11H18FNO/c12-11(5-3-7-13-8-6-11)10-4-1-2-9-14-10/h4,13H,1-3,5-9H2
InChIKeyJLXUKGQZCGOFSR-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.16
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane

4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane (PubChem CID 102648259) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane
PubChem CID102648259
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane
SMILESFC1(C2=CCCCO2)CCCNCC1
InChIInChI=1S/C11H18FNO/c12-11(5-3-7-13-8-6-11)10-4-1-2-9-14-10/h4,13H,1-3,5-9H2
InChIKeyJLXUKGQZCGOFSR-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane (CID 102648259) is 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane is FC1(C2=CCCCO2)CCCNCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane?
The InChIKey is JLXUKGQZCGOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-11(5-3-7-13-8-6-11)10-4-1-2-9-14-10/h4,13H,1-3,5-9H2.
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane?
4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane has a molecular weight of 199.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoroazepane is sourced from PubChem (CID 102648259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).