3-(difluoromethyl)-3-methylazepane

C8H15F2N — CID 105432135

IUPAC3-(difluoromethyl)-3-methylazepane
SMILESCC1(C(F)F)CCCCNC1
InChIInChI=1S/C8H15F2N/c1-8(7(9)10)4-2-3-5-11-6-8/h7,11H,2-6H2,1H3
InChIKeyVSZIQUYENQQCFI-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds1

About 3-(difluoromethyl)-3-methylazepane

3-(difluoromethyl)-3-methylazepane (PubChem CID 105432135) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-methylazepane.

Molecular Properties

Compound Name3-(difluoromethyl)-3-methylazepane
PubChem CID105432135
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3-(difluoromethyl)-3-methylazepane
SMILESCC1(C(F)F)CCCCNC1
InChIInChI=1S/C8H15F2N/c1-8(7(9)10)4-2-3-5-11-6-8/h7,11H,2-6H2,1H3
InChIKeyVSZIQUYENQQCFI-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(difluoromethyl)-3-methylpiperidine
CID 58874293
1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
(3R)-3-fluoro-3-methylazepane
CID 124708989
3,3-difluoroazepane;ethane
CID 142117389
2-(difluoromethyl)-2-methylpiperidine
CID 84763126
3-(difluoromethyl)-3-methoxypiperidine
CID 167723798
3,3-dimethylazocane;methane
CID 144639099
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3,3-di(propan-2-yl)azepane
CID 58609824
fluoroform;pyrrolidine
CID 19768317
7-azaspiro[4.6]undecane
CID 75488634
3,3-difluoroazepane;hydrochloride
CID 118798396

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3-methylazepane?
The IUPAC name of 3-(difluoromethyl)-3-methylazepane (CID 105432135) is 3-(difluoromethyl)-3-methylazepane.
What is the SMILES notation for 3-(difluoromethyl)-3-methylazepane?
The canonical SMILES for 3-(difluoromethyl)-3-methylazepane is CC1(C(F)F)CCCCNC1.
What is the InChIKey of 3-(difluoromethyl)-3-methylazepane?
The InChIKey is VSZIQUYENQQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-8(7(9)10)4-2-3-5-11-6-8/h7,11H,2-6H2,1H3.
What are the key properties of 3-(difluoromethyl)-3-methylazepane?
3-(difluoromethyl)-3-methylazepane has a molecular weight of 163.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-methylazepane is sourced from PubChem (CID 105432135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).