4-(2-fluoroethoxy)azepane

C8H16FNO — CID 84651254

IUPAC4-(2-fluoroethoxy)azepane
SMILESFCCOC1CCCNCC1
InChIInChI=1S/C8H16FNO/c9-4-7-11-8-2-1-5-10-6-3-8/h8,10H,1-7H2
InChIKeyGBPYRIVQIQHYMD-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About 4-(2-fluoroethoxy)azepane

4-(2-fluoroethoxy)azepane (PubChem CID 84651254) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)azepane.

Molecular Properties

Compound Name4-(2-fluoroethoxy)azepane
PubChem CID84651254
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-(2-fluoroethoxy)azepane
SMILESFCCOC1CCCNCC1
InChIInChI=1S/C8H16FNO/c9-4-7-11-8-2-1-5-10-6-3-8/h8,10H,1-7H2
InChIKeyGBPYRIVQIQHYMD-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
2-[(4R)-azepan-4-yl]oxyethanamine;ethane
CID 144754813
4-(4-methylpentoxy)azepane
CID 63904463
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
4-[2-(3-methoxypropoxy)ethoxy]azepane
CID 103175847
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
CID 86775442
5-(2-(19F)fluoroethoxy)cyclooctene
CID 123636497
(4R)-4-cyclobutyloxyazepane
CID 124508837
N-(2-piperidin-4-yloxyethyl)cyclopropanamine
CID 63903398
2-piperidin-3-yloxyethanol
CID 43197065
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)azepane?
The IUPAC name of 4-(2-fluoroethoxy)azepane (CID 84651254) is 4-(2-fluoroethoxy)azepane.
What is the SMILES notation for 4-(2-fluoroethoxy)azepane?
The canonical SMILES for 4-(2-fluoroethoxy)azepane is FCCOC1CCCNCC1.
What is the InChIKey of 4-(2-fluoroethoxy)azepane?
The InChIKey is GBPYRIVQIQHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-4-7-11-8-2-1-5-10-6-3-8/h8,10H,1-7H2.
What are the key properties of 4-(2-fluoroethoxy)azepane?
4-(2-fluoroethoxy)azepane has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)azepane is sourced from PubChem (CID 84651254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).