6-fluoroazepan-4-ol

C6H12FNO — CID 118222057

IUPAC6-fluoroazepan-4-ol
SMILESOC1CCNCC(F)C1
InChIInChI=1S/C6H12FNO/c7-5-3-6(9)1-2-8-4-5/h5-6,8-9H,1-4H2
InChIKeyWYXZPDFOKNPRNO-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds

About 6-fluoroazepan-4-ol

6-fluoroazepan-4-ol (PubChem CID 118222057) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 6-fluoroazepan-4-ol.

Molecular Properties

Compound Name6-fluoroazepan-4-ol
PubChem CID118222057
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name6-fluoroazepan-4-ol
SMILESOC1CCNCC(F)C1
InChIInChI=1S/C6H12FNO/c7-5-3-6(9)1-2-8-4-5/h5-6,8-9H,1-4H2
InChIKeyWYXZPDFOKNPRNO-UHFFFAOYSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Difluoroazepan-4-ol hydrochloride
CID 132372843
4-(Difluoromethoxy)azepane
CID 168435493
Azepan-4-ol
CID 5149746
3-Fluoro-4-methoxyazepane
CID 68321459
6-Methylazepan-4-ol
CID 86686497
4-Fluoro-5-methoxyazepane
CID 89888251
4-Fluoroazepan-3-ol
CID 91804345
5-Fluoroazepan-4-ol
CID 105530293
5-Fluoro-1-methylazepan-4-ol
CID 105530294
5,5-Difluoroazepan-4-ol
CID 105530295
3-Fluoro-1-methylazepan-4-ol
CID 118230229
6-Fluoro-1-methylazepan-4-ol
CID 118230240

Frequently Asked Questions

What is the IUPAC name of 6-fluoroazepan-4-ol?
The IUPAC name of 6-fluoroazepan-4-ol (CID 118222057) is 6-fluoroazepan-4-ol.
What is the SMILES notation for 6-fluoroazepan-4-ol?
The canonical SMILES for 6-fluoroazepan-4-ol is OC1CCNCC(F)C1.
What is the InChIKey of 6-fluoroazepan-4-ol?
The InChIKey is WYXZPDFOKNPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-3-6(9)1-2-8-4-5/h5-6,8-9H,1-4H2.
What are the key properties of 6-fluoroazepan-4-ol?
6-fluoroazepan-4-ol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroazepan-4-ol is sourced from PubChem (CID 118222057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).