10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one

C11H16F3NO — CID 171937000

IUPAC10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one
SMILESCN1C2CCCC1CC(C(F)(F)F)C(=O)C2
InChIInChI=1S/C11H16F3NO/c1-15-7-3-2-4-8(15)6-10(16)9(5-7)11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyLWPSGLZLWJCEAU-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.38
Rot. Bonds

About 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one

10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one (PubChem CID 171937000) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one.

Molecular Properties

Compound Name10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one
PubChem CID171937000
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one
SMILESCN1C2CCCC1CC(C(F)(F)F)C(=O)C2
InChIInChI=1S/C11H16F3NO/c1-15-7-3-2-4-8(15)6-10(16)9(5-7)11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyLWPSGLZLWJCEAU-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57195571
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CID 162403326
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
CID 55094540
2-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cycloheptan-1-one
CID 65530271
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cycloheptan-1-one
CID 65532404
2-[1-(3,3,3-Trifluoropropyl)piperidin-2-yl]cyclopentan-1-one
CID 79544800
2-[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]cyclopentan-1-one
CID 79545090
2-[1-(2,2-Difluoroethyl)piperidin-2-yl]cyclopentan-1-one
CID 79545835
2-[1-(3,3,3-Trifluoropropyl)piperidin-2-yl]cyclohexan-1-one
CID 79552648
2-[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]cyclohexan-1-one
CID 79552727
2-[1-(2,2-Difluoroethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553105
4,4,4-Trifluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 112680637

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one?
The IUPAC name of 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one (CID 171937000) is 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one.
What is the SMILES notation for 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one?
The canonical SMILES for 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one is CN1C2CCCC1CC(C(F)(F)F)C(=O)C2.
What is the InChIKey of 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one?
The InChIKey is LWPSGLZLWJCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-15-7-3-2-4-8(15)6-10(16)9(5-7)11(12,13)14/h7-9H,2-6H2,1H3.
What are the key properties of 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one?
10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one has a molecular weight of 235.25 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-one is sourced from PubChem (CID 171937000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).