11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane

C10H15F2N — CID 146049851

IUPAC11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane
SMILESFC1(F)C23CCCCC12CNCC3
InChIInChI=1S/C10H15F2N/c11-10(12)8-3-1-2-4-9(8,10)7-13-6-5-8/h13H,1-7H2
InChIKeyZWQQGDGLAQRQEO-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.18
Rot. Bonds

About 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane

11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane (PubChem CID 146049851) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane.

Molecular Properties

Compound Name11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane
PubChem CID146049851
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane
SMILESFC1(F)C23CCCCC12CNCC3
InChIInChI=1S/C10H15F2N/c11-10(12)8-3-1-2-4-9(8,10)7-13-6-5-8/h13H,1-7H2
InChIKeyZWQQGDGLAQRQEO-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3-difluoroazepane;ethane
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3-fluoro-3-iodopiperidine
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11,11-difluoro-3-azaspiro[5.5]undecane
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(3S)-3-fluoro-3-methylpiperidine
CID 97009658
(3R)-3-fluoro-3-methylazepane
CID 124708989
(3S)-3-ethyl-3-fluoropyrrolidine
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2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
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2,7-diazaspiro[3.4]octane;ethane
CID 171068778

Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane?
The IUPAC name of 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane (CID 146049851) is 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane.
What is the SMILES notation for 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane?
The canonical SMILES for 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane is FC1(F)C23CCCCC12CNCC3.
What is the InChIKey of 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane?
The InChIKey is ZWQQGDGLAQRQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c11-10(12)8-3-1-2-4-9(8,10)7-13-6-5-8/h13H,1-7H2.
What are the key properties of 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane?
11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane has a molecular weight of 187.23 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-3-azatricyclo[4.4.1.01,6]undecane is sourced from PubChem (CID 146049851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).