3-fluoro-3,5-dimethyl-6-propylazepane

C11H22FN — CID 123474102

IUPAC3-fluoro-3,5-dimethyl-6-propylazepane
SMILESCCCC1CNCC(C)(F)CC1C
InChIInChI=1S/C11H22FN/c1-4-5-10-7-13-8-11(3,12)6-9(10)2/h9-10,13H,4-8H2,1-3H3
InChIKeyVVVGITFODQJUMX-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.76
Rot. Bonds2

About 3-fluoro-3,5-dimethyl-6-propylazepane

3-fluoro-3,5-dimethyl-6-propylazepane (PubChem CID 123474102) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-fluoro-3,5-dimethyl-6-propylazepane.

Molecular Properties

Compound Name3-fluoro-3,5-dimethyl-6-propylazepane
PubChem CID123474102
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-fluoro-3,5-dimethyl-6-propylazepane
SMILESCCCC1CNCC(C)(F)CC1C
InChIInChI=1S/C11H22FN/c1-4-5-10-7-13-8-11(3,12)6-9(10)2/h9-10,13H,4-8H2,1-3H3
InChIKeyVVVGITFODQJUMX-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,5-dimethyl-6-propylazepane?
The IUPAC name of 3-fluoro-3,5-dimethyl-6-propylazepane (CID 123474102) is 3-fluoro-3,5-dimethyl-6-propylazepane.
What is the SMILES notation for 3-fluoro-3,5-dimethyl-6-propylazepane?
The canonical SMILES for 3-fluoro-3,5-dimethyl-6-propylazepane is CCCC1CNCC(C)(F)CC1C.
What is the InChIKey of 3-fluoro-3,5-dimethyl-6-propylazepane?
The InChIKey is VVVGITFODQJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-4-5-10-7-13-8-11(3,12)6-9(10)2/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-fluoro-3,5-dimethyl-6-propylazepane?
3-fluoro-3,5-dimethyl-6-propylazepane has a molecular weight of 187.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,5-dimethyl-6-propylazepane is sourced from PubChem (CID 123474102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).