4-(2-fluoroethoxy)-1-methylazepane

C9H18FNO — CID 167279623

IUPAC4-(2-fluoroethoxy)-1-methylazepane
SMILESCN1CCCC(OCCF)CC1
InChIInChI=1S/C9H18FNO/c1-11-6-2-3-9(4-7-11)12-8-5-10/h9H,2-8H2,1H3
InChIKeyOWURBHKNYCRBPH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About 4-(2-fluoroethoxy)-1-methylazepane

4-(2-fluoroethoxy)-1-methylazepane (PubChem CID 167279623) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-1-methylazepane.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-1-methylazepane
PubChem CID167279623
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-(2-fluoroethoxy)-1-methylazepane
SMILESCN1CCCC(OCCF)CC1
InChIInChI=1S/C9H18FNO/c1-11-6-2-3-9(4-7-11)12-8-5-10/h9H,2-8H2,1H3
InChIKeyOWURBHKNYCRBPH-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-1-methylazepane?
The IUPAC name of 4-(2-fluoroethoxy)-1-methylazepane (CID 167279623) is 4-(2-fluoroethoxy)-1-methylazepane.
What is the SMILES notation for 4-(2-fluoroethoxy)-1-methylazepane?
The canonical SMILES for 4-(2-fluoroethoxy)-1-methylazepane is CN1CCCC(OCCF)CC1.
What is the InChIKey of 4-(2-fluoroethoxy)-1-methylazepane?
The InChIKey is OWURBHKNYCRBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-11-6-2-3-9(4-7-11)12-8-5-10/h9H,2-8H2,1H3.
What are the key properties of 4-(2-fluoroethoxy)-1-methylazepane?
4-(2-fluoroethoxy)-1-methylazepane has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-1-methylazepane is sourced from PubChem (CID 167279623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).