4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane

C13H24FNO — CID 103983982

IUPAC4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane
SMILESFC1(CCCC2CCCO2)CCCNCC1
InChIInChI=1S/C13H24FNO/c14-13(7-3-9-15-10-8-13)6-1-4-12-5-2-11-16-12/h12,15H,1-11H2
InChIKeyYONFGSIDBMJNNS-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.82
Rot. Bonds4

About 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane

4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane (PubChem CID 103983982) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane.

Molecular Properties

Compound Name4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane
PubChem CID103983982
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane
SMILESFC1(CCCC2CCCO2)CCCNCC1
InChIInChI=1S/C13H24FNO/c14-13(7-3-9-15-10-8-13)6-1-4-12-5-2-11-16-12/h12,15H,1-11H2
InChIKeyYONFGSIDBMJNNS-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-4-(oxolan-3-yl)azepane
CID 103983808
4-Fluoro-4-(oxan-4-ylmethyl)azepane
CID 103983964
4-Fluoro-4-[2-(oxolan-2-yl)ethyl]azepane
CID 103983981
3-Fluoro-3-[3-(oxolan-2-yl)propyl]piperidine
CID 112562823
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563004
4-Fluoro-4-[3-(oxolan-2-yl)propyl]piperidine
CID 112563085
4-Fluoro-4-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563247
4-[1-Fluoro-4-(oxolan-2-yl)butyl]piperidine
CID 112563647
4-[1-Fluoro-3-(oxolan-2-yl)propyl]piperidine
CID 112563841
3-Fluoro-3-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 112564234
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 112564402
3-[2-Fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine
CID 112564774

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane?
The IUPAC name of 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane (CID 103983982) is 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane.
What is the SMILES notation for 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane?
The canonical SMILES for 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane is FC1(CCCC2CCCO2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane?
The InChIKey is YONFGSIDBMJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c14-13(7-3-9-15-10-8-13)6-1-4-12-5-2-11-16-12/h12,15H,1-11H2.
What are the key properties of 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane?
4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane has a molecular weight of 229.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[3-(oxolan-2-yl)propyl]azepane is sourced from PubChem (CID 103983982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).