6-fluoro-1-methylazepan-4-ol

C7H14FNO — CID 118230240

IUPAC6-fluoro-1-methylazepan-4-ol
SMILESCN1CCC(O)CC(F)C1
InChIInChI=1S/C7H14FNO/c1-9-3-2-7(10)4-6(8)5-9/h6-7,10H,2-5H2,1H3
InChIKeyIVKWNGZIBLARKV-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds

About 6-fluoro-1-methylazepan-4-ol

6-fluoro-1-methylazepan-4-ol (PubChem CID 118230240) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 6-fluoro-1-methylazepan-4-ol.

Molecular Properties

Compound Name6-fluoro-1-methylazepan-4-ol
PubChem CID118230240
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name6-fluoro-1-methylazepan-4-ol
SMILESCN1CCC(O)CC(F)C1
InChIInChI=1S/C7H14FNO/c1-9-3-2-7(10)4-6(8)5-9/h6-7,10H,2-5H2,1H3
InChIKeyIVKWNGZIBLARKV-UHFFFAOYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylazepan-4-ol?
The IUPAC name of 6-fluoro-1-methylazepan-4-ol (CID 118230240) is 6-fluoro-1-methylazepan-4-ol.
What is the SMILES notation for 6-fluoro-1-methylazepan-4-ol?
The canonical SMILES for 6-fluoro-1-methylazepan-4-ol is CN1CCC(O)CC(F)C1.
What is the InChIKey of 6-fluoro-1-methylazepan-4-ol?
The InChIKey is IVKWNGZIBLARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-3-2-7(10)4-6(8)5-9/h6-7,10H,2-5H2,1H3.
What are the key properties of 6-fluoro-1-methylazepan-4-ol?
6-fluoro-1-methylazepan-4-ol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylazepan-4-ol is sourced from PubChem (CID 118230240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).