4-fluoro-4-(furan-3-yl)azepane

C10H14FNO — CID 103983837

IUPAC4-fluoro-4-(furan-3-yl)azepane
SMILESFC1(c2ccoc2)CCCNCC1
InChIInChI=1S/C10H14FNO/c11-10(9-2-7-13-8-9)3-1-5-12-6-4-10/h2,7-8,12H,1,3-6H2
InChIKeyWITGAXGJBGPMBT-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.22
Rot. Bonds1

About 4-fluoro-4-(furan-3-yl)azepane

4-fluoro-4-(furan-3-yl)azepane (PubChem CID 103983837) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-4-(furan-3-yl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(furan-3-yl)azepane
PubChem CID103983837
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-fluoro-4-(furan-3-yl)azepane
SMILESFC1(c2ccoc2)CCCNCC1
InChIInChI=1S/C10H14FNO/c11-10(9-2-7-13-8-9)3-1-5-12-6-4-10/h2,7-8,12H,1,3-6H2
InChIKeyWITGAXGJBGPMBT-UHFFFAOYSA-N
XLogP2.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(furan-3-yl)azepane?
The IUPAC name of 4-fluoro-4-(furan-3-yl)azepane (CID 103983837) is 4-fluoro-4-(furan-3-yl)azepane.
What is the SMILES notation for 4-fluoro-4-(furan-3-yl)azepane?
The canonical SMILES for 4-fluoro-4-(furan-3-yl)azepane is FC1(c2ccoc2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(furan-3-yl)azepane?
The InChIKey is WITGAXGJBGPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-10(9-2-7-13-8-9)3-1-5-12-6-4-10/h2,7-8,12H,1,3-6H2.
What are the key properties of 4-fluoro-4-(furan-3-yl)azepane?
4-fluoro-4-(furan-3-yl)azepane has a molecular weight of 183.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(furan-3-yl)azepane is sourced from PubChem (CID 103983837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).