1-ethyl-4-(2-fluoroethoxy)azepane

C10H20FNO — CID 155452130

IUPAC1-ethyl-4-(2-fluoroethoxy)azepane
SMILESCCN1CCCC(OCCF)CC1
InChIInChI=1S/C10H20FNO/c1-2-12-7-3-4-10(5-8-12)13-9-6-11/h10H,2-9H2,1H3
InChIKeyCKJUJMGWTOQQQE-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds4

About 1-ethyl-4-(2-fluoroethoxy)azepane

1-ethyl-4-(2-fluoroethoxy)azepane (PubChem CID 155452130) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoroethoxy)azepane.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoroethoxy)azepane
PubChem CID155452130
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-ethyl-4-(2-fluoroethoxy)azepane
SMILESCCN1CCCC(OCCF)CC1
InChIInChI=1S/C10H20FNO/c1-2-12-7-3-4-10(5-8-12)13-9-6-11/h10H,2-9H2,1H3
InChIKeyCKJUJMGWTOQQQE-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluoroethoxy)azepane?
The IUPAC name of 1-ethyl-4-(2-fluoroethoxy)azepane (CID 155452130) is 1-ethyl-4-(2-fluoroethoxy)azepane.
What is the SMILES notation for 1-ethyl-4-(2-fluoroethoxy)azepane?
The canonical SMILES for 1-ethyl-4-(2-fluoroethoxy)azepane is CCN1CCCC(OCCF)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluoroethoxy)azepane?
The InChIKey is CKJUJMGWTOQQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-12-7-3-4-10(5-8-12)13-9-6-11/h10H,2-9H2,1H3.
What are the key properties of 1-ethyl-4-(2-fluoroethoxy)azepane?
1-ethyl-4-(2-fluoroethoxy)azepane has a molecular weight of 189.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoroethoxy)azepane is sourced from PubChem (CID 155452130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).