1-ethyl-5,5-difluoroazepan-4-ol

C8H15F2NO — CID 139302659

IUPAC1-ethyl-5,5-difluoroazepan-4-ol
SMILESCCN1CCC(O)C(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c1-2-11-5-3-7(12)8(9,10)4-6-11/h7,12H,2-6H2,1H3
InChIKeyGVAYAFVTMHTQCE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds1

About 1-ethyl-5,5-difluoroazepan-4-ol

1-ethyl-5,5-difluoroazepan-4-ol (PubChem CID 139302659) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-ethyl-5,5-difluoroazepan-4-ol.

Molecular Properties

Compound Name1-ethyl-5,5-difluoroazepan-4-ol
PubChem CID139302659
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-ethyl-5,5-difluoroazepan-4-ol
SMILESCCN1CCC(O)C(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c1-2-11-5-3-7(12)8(9,10)4-6-11/h7,12H,2-6H2,1H3
InChIKeyGVAYAFVTMHTQCE-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-difluoroazepan-4-ol?
The IUPAC name of 1-ethyl-5,5-difluoroazepan-4-ol (CID 139302659) is 1-ethyl-5,5-difluoroazepan-4-ol.
What is the SMILES notation for 1-ethyl-5,5-difluoroazepan-4-ol?
The canonical SMILES for 1-ethyl-5,5-difluoroazepan-4-ol is CCN1CCC(O)C(F)(F)CC1.
What is the InChIKey of 1-ethyl-5,5-difluoroazepan-4-ol?
The InChIKey is GVAYAFVTMHTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-11-5-3-7(12)8(9,10)4-6-11/h7,12H,2-6H2,1H3.
What are the key properties of 1-ethyl-5,5-difluoroazepan-4-ol?
1-ethyl-5,5-difluoroazepan-4-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-difluoroazepan-4-ol is sourced from PubChem (CID 139302659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).