6-(difluoromethyl)-5-methyl-1,4-diazepane

C7H14F2N2 — CID 170771640

IUPAC6-(difluoromethyl)-5-methyl-1,4-diazepane
SMILESCC1NCCNCC1C(F)F
InChIInChI=1S/C7H14F2N2/c1-5-6(7(8)9)4-10-2-3-11-5/h5-7,10-11H,2-4H2,1H3
InChIKeyXJLFSENTSOAGSM-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.45
Rot. Bonds1

About 6-(difluoromethyl)-5-methyl-1,4-diazepane

6-(difluoromethyl)-5-methyl-1,4-diazepane (PubChem CID 170771640) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-1,4-diazepane.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-1,4-diazepane
PubChem CID170771640
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name6-(difluoromethyl)-5-methyl-1,4-diazepane
SMILESCC1NCCNCC1C(F)F
InChIInChI=1S/C7H14F2N2/c1-5-6(7(8)9)4-10-2-3-11-5/h5-7,10-11H,2-4H2,1H3
InChIKeyXJLFSENTSOAGSM-UHFFFAOYSA-N
XLogP0.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
2-methylpiperazine;hydrate
CID 141084178
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
3-(difluoromethyl)-4-ethylpiperidine
CID 105432137
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
2,5-dimethyl-1,4,7-triazonane
CID 66663266
2-methylpiperazine;molecular hydrogen
CID 143777491
azane;2-methylpiperazine;dihydrochloride
CID 174255785
2-(2,2-difluoroethyl)piperazine
CID 91803153
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892
ethane;2-methylpiperazine;propane
CID 171563379

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-1,4-diazepane?
The IUPAC name of 6-(difluoromethyl)-5-methyl-1,4-diazepane (CID 170771640) is 6-(difluoromethyl)-5-methyl-1,4-diazepane.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-1,4-diazepane?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-1,4-diazepane is CC1NCCNCC1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-1,4-diazepane?
The InChIKey is XJLFSENTSOAGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5-6(7(8)9)4-10-2-3-11-5/h5-7,10-11H,2-4H2,1H3.
What are the key properties of 6-(difluoromethyl)-5-methyl-1,4-diazepane?
6-(difluoromethyl)-5-methyl-1,4-diazepane has a molecular weight of 164.20 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-1,4-diazepane is sourced from PubChem (CID 170771640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).