10-(trifluoromethyl)spiro[5.5]undecan-3-one

C12H17F3O — CID 119088360

IUPAC10-(trifluoromethyl)spiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H17F3O/c13-12(14,15)9-2-1-5-11(8-9)6-3-10(16)4-7-11/h9H,1-8H2
InChIKeyUQENVWIBFQIBNK-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.87
Rot. Bonds

About 10-(trifluoromethyl)spiro[5.5]undecan-3-one

10-(trifluoromethyl)spiro[5.5]undecan-3-one (PubChem CID 119088360) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is 10-(trifluoromethyl)spiro[5.5]undecan-3-one.

Molecular Properties

Compound Name10-(trifluoromethyl)spiro[5.5]undecan-3-one
PubChem CID119088360
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name10-(trifluoromethyl)spiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C12H17F3O/c13-12(14,15)9-2-1-5-11(8-9)6-3-10(16)4-7-11/h9H,1-8H2
InChIKeyUQENVWIBFQIBNK-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-(trifluoromethyl)spiro[5.5]undecan-3-one?
The IUPAC name of 10-(trifluoromethyl)spiro[5.5]undecan-3-one (CID 119088360) is 10-(trifluoromethyl)spiro[5.5]undecan-3-one.
What is the SMILES notation for 10-(trifluoromethyl)spiro[5.5]undecan-3-one?
The canonical SMILES for 10-(trifluoromethyl)spiro[5.5]undecan-3-one is O=C1CCC2(CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 10-(trifluoromethyl)spiro[5.5]undecan-3-one?
The InChIKey is UQENVWIBFQIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O/c13-12(14,15)9-2-1-5-11(8-9)6-3-10(16)4-7-11/h9H,1-8H2.
What are the key properties of 10-(trifluoromethyl)spiro[5.5]undecan-3-one?
10-(trifluoromethyl)spiro[5.5]undecan-3-one has a molecular weight of 234.26 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethyl)spiro[5.5]undecan-3-one is sourced from PubChem (CID 119088360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).