6,6-difluoro-1,3-dimethylazepan-3-ol

C8H15F2NO — CID 178173246

IUPAC6,6-difluoro-1,3-dimethylazepan-3-ol
SMILESCN1CC(C)(O)CCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-7(12)3-4-8(9,10)6-11(2)5-7/h12H,3-6H2,1-2H3
InChIKeyUKNQIZZHDLFVCA-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds

About 6,6-difluoro-1,3-dimethylazepan-3-ol

6,6-difluoro-1,3-dimethylazepan-3-ol (PubChem CID 178173246) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 6,6-difluoro-1,3-dimethylazepan-3-ol.

Molecular Properties

Compound Name6,6-difluoro-1,3-dimethylazepan-3-ol
PubChem CID178173246
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name6,6-difluoro-1,3-dimethylazepan-3-ol
SMILESCN1CC(C)(O)CCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-7(12)3-4-8(9,10)6-11(2)5-7/h12H,3-6H2,1-2H3
InChIKeyUKNQIZZHDLFVCA-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

3-(Fluoromethyl)-1-propan-2-ylazepan-3-ol
CID 168104622
6,6-Difluoro-3-methyl-1-propan-2-ylazepan-3-ol
CID 178173046
3-(Fluoromethyl)-1-methylazepan-3-ol
CID 144890556
2-[(Azepan-1-yl)methyl]-1,1,1-trifluorobutan-2-ol
CID 165448191
1,3-Dimethylazepan-3-ol
CID 59015752
1-Iodo-3-methylazepan-3-ol
CID 148732506
1-Ethyl-3-methylazepan-3-ol
CID 167467036
3-Methyl-1-propan-2-ylazepan-3-ol
CID 168104617
1,3-Dimethylazepan-3-ol;ethane
CID 168906567
1,1,3-Trimethylazepan-1-ium-3-ol
CID 174289209
(3S)-1-tert-butyl-3-methylazepan-3-ol
CID 176612697
(3S)-1,3-dimethylazepan-3-ol
CID 176714404

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,3-dimethylazepan-3-ol?
The IUPAC name of 6,6-difluoro-1,3-dimethylazepan-3-ol (CID 178173246) is 6,6-difluoro-1,3-dimethylazepan-3-ol.
What is the SMILES notation for 6,6-difluoro-1,3-dimethylazepan-3-ol?
The canonical SMILES for 6,6-difluoro-1,3-dimethylazepan-3-ol is CN1CC(C)(O)CCC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-1,3-dimethylazepan-3-ol?
The InChIKey is UKNQIZZHDLFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(12)3-4-8(9,10)6-11(2)5-7/h12H,3-6H2,1-2H3.
What are the key properties of 6,6-difluoro-1,3-dimethylazepan-3-ol?
6,6-difluoro-1,3-dimethylazepan-3-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,3-dimethylazepan-3-ol is sourced from PubChem (CID 178173246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).