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

C11H23FN2 — CID 153291266

IUPAC6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)N1CCN(C(C)C)CC(F)C1
InChIInChI=1S/C11H23FN2/c1-9(2)13-5-6-14(10(3)4)8-11(12)7-13/h9-11H,5-8H2,1-4H3
InChIKeyVIRUZXXXXQKISL-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.76
Rot. Bonds2

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

6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane (PubChem CID 153291266) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
PubChem CID153291266
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
SMILESCC(C)N1CCN(C(C)C)CC(F)C1
InChIInChI=1S/C11H23FN2/c1-9(2)13-5-6-14(10(3)4)8-11(12)7-13/h9-11H,5-8H2,1-4H3
InChIKeyVIRUZXXXXQKISL-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-fluoroazetidin-1-yl)ethanethiol
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ethane;3-methyl-1-propan-2-ylpyrrolidine
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(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
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3-fluoro-1-pentan-2-ylazetidine
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4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
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1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
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3-fluoro-1-[1-(1-methylcyclopropyl)ethyl]azetidine
CID 131041661
1,2,4-tri(propan-2-yl)piperazine
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1-fluoro-4-propan-2-yl-1,4-diazepane
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CID 170569304

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane?
The IUPAC name of 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane (CID 153291266) is 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane.
What is the SMILES notation for 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane?
The canonical SMILES for 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane is CC(C)N1CCN(C(C)C)CC(F)C1.
What is the InChIKey of 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane?
The InChIKey is VIRUZXXXXQKISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-9(2)13-5-6-14(10(3)4)8-11(12)7-13/h9-11H,5-8H2,1-4H3.
What are the key properties of 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane?
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane has a molecular weight of 202.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane is sourced from PubChem (CID 153291266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).