4-ethoxy-3-fluoroazepane

C8H16FNO — CID 89100815

IUPAC4-ethoxy-3-fluoroazepane
SMILESCCOC1CCCNCC1F
InChIInChI=1S/C8H16FNO/c1-2-11-8-4-3-5-10-6-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyMAFWUTGVUKZHRP-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds2

About 4-ethoxy-3-fluoroazepane

4-ethoxy-3-fluoroazepane (PubChem CID 89100815) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-ethoxy-3-fluoroazepane.

Molecular Properties

Compound Name4-ethoxy-3-fluoroazepane
PubChem CID89100815
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-ethoxy-3-fluoroazepane
SMILESCCOC1CCCNCC1F
InChIInChI=1S/C8H16FNO/c1-2-11-8-4-3-5-10-6-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyMAFWUTGVUKZHRP-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxyazepane hydrochloride
CID 74889941
4-(Difluoromethoxy)azepane
CID 168435493
4-Methoxyazepane
CID 19600383
4-Propoxyazepane
CID 50987934
3-Fluoro-4-propan-2-yloxyazepane
CID 58303693
4-Fluoro-1-methyl-4-propan-2-yloxyazepane
CID 58303735
4-Fluoro-5-propan-2-yloxyazepane
CID 58303778
3-Fluoro-4-methoxyazepane
CID 68321459
4-Ethoxy-5-fluoroazepane
CID 89840446
4-Fluoro-5-methoxyazepane
CID 89888251
5-Butoxy-3-fluoroazepane
CID 118248055
4,4-Difluoro-5-methoxyazepane
CID 124197765

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoroazepane?
The IUPAC name of 4-ethoxy-3-fluoroazepane (CID 89100815) is 4-ethoxy-3-fluoroazepane.
What is the SMILES notation for 4-ethoxy-3-fluoroazepane?
The canonical SMILES for 4-ethoxy-3-fluoroazepane is CCOC1CCCNCC1F.
What is the InChIKey of 4-ethoxy-3-fluoroazepane?
The InChIKey is MAFWUTGVUKZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-11-8-4-3-5-10-6-7(8)9/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-ethoxy-3-fluoroazepane?
4-ethoxy-3-fluoroazepane has a molecular weight of 161.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoroazepane is sourced from PubChem (CID 89100815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).