6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane

C11H22F2N2 — CID 175613591

IUPAC6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)C1N(C(C)C)CCNCC1(F)F
InChIInChI=1S/C11H22F2N2/c1-8(2)10-11(12,13)7-14-5-6-15(10)9(3)4/h8-10,14H,5-7H2,1-4H3
InChIKeyKFSSQKLIZQLJSO-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.96
Rot. Bonds2

About 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane

6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane (PubChem CID 175613591) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
PubChem CID175613591
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)C1N(C(C)C)CCNCC1(F)F
InChIInChI=1S/C11H22F2N2/c1-8(2)10-11(12,13)7-14-5-6-15(10)9(3)4/h8-10,14H,5-7H2,1-4H3
InChIKeyKFSSQKLIZQLJSO-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane
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7-methyl-1-propan-2-yl-1,4-diazepane
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2-ethyl-1-propan-2-ylpiperazine;hydrochloride
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(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
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3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
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3-methyl-1,2-di(propan-2-yl)piperidin-3-ol
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2-cyclohexyl-1-propan-2-ylpiperazine
CID 64844464

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane?
The IUPAC name of 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane (CID 175613591) is 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane.
What is the SMILES notation for 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane?
The canonical SMILES for 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane is CC(C)C1N(C(C)C)CCNCC1(F)F.
What is the InChIKey of 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane?
The InChIKey is KFSSQKLIZQLJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-8(2)10-11(12,13)7-14-5-6-15(10)9(3)4/h8-10,14H,5-7H2,1-4H3.
What are the key properties of 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane?
6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane has a molecular weight of 220.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane is sourced from PubChem (CID 175613591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).