1-ethyl-4-fluoroazepan-3-ol

C8H16FNO — CID 139302573

IUPAC1-ethyl-4-fluoroazepan-3-ol
SMILESCCN1CCCC(F)C(O)C1
InChIInChI=1S/C8H16FNO/c1-2-10-5-3-4-7(9)8(11)6-10/h7-8,11H,2-6H2,1H3
InChIKeyIPEBRBQKRBXDHE-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds1

About 1-ethyl-4-fluoroazepan-3-ol

1-ethyl-4-fluoroazepan-3-ol (PubChem CID 139302573) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-ethyl-4-fluoroazepan-3-ol.

Molecular Properties

Compound Name1-ethyl-4-fluoroazepan-3-ol
PubChem CID139302573
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-ethyl-4-fluoroazepan-3-ol
SMILESCCN1CCCC(F)C(O)C1
InChIInChI=1S/C8H16FNO/c1-2-10-5-3-4-7(9)8(11)6-10/h7-8,11H,2-6H2,1H3
InChIKeyIPEBRBQKRBXDHE-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoroazepan-3-ol?
The IUPAC name of 1-ethyl-4-fluoroazepan-3-ol (CID 139302573) is 1-ethyl-4-fluoroazepan-3-ol.
What is the SMILES notation for 1-ethyl-4-fluoroazepan-3-ol?
The canonical SMILES for 1-ethyl-4-fluoroazepan-3-ol is CCN1CCCC(F)C(O)C1.
What is the InChIKey of 1-ethyl-4-fluoroazepan-3-ol?
The InChIKey is IPEBRBQKRBXDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-10-5-3-4-7(9)8(11)6-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-fluoroazepan-3-ol?
1-ethyl-4-fluoroazepan-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoroazepan-3-ol is sourced from PubChem (CID 139302573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).