10-amino-1,1,1-trifluoro-6-methylundecan-5-one

C12H22F3NO — CID 116574296

IUPAC10-amino-1,1,1-trifluoro-6-methylundecan-5-one
SMILESCC(N)CCCC(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(5-3-6-10(2)16)11(17)7-4-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeySPLZEKGLCAANHF-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.44
Rot. Bonds8

About 10-amino-1,1,1-trifluoro-6-methylundecan-5-one

10-amino-1,1,1-trifluoro-6-methylundecan-5-one (PubChem CID 116574296) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 10-amino-1,1,1-trifluoro-6-methylundecan-5-one.

Molecular Properties

Compound Name10-amino-1,1,1-trifluoro-6-methylundecan-5-one
PubChem CID116574296
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name10-amino-1,1,1-trifluoro-6-methylundecan-5-one
SMILESCC(N)CCCC(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(5-3-6-10(2)16)11(17)7-4-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeySPLZEKGLCAANHF-UHFFFAOYSA-N
XLogP3.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-amino-1,1,1-trifluoro-6-methylundecan-5-one?
The IUPAC name of 10-amino-1,1,1-trifluoro-6-methylundecan-5-one (CID 116574296) is 10-amino-1,1,1-trifluoro-6-methylundecan-5-one.
What is the SMILES notation for 10-amino-1,1,1-trifluoro-6-methylundecan-5-one?
The canonical SMILES for 10-amino-1,1,1-trifluoro-6-methylundecan-5-one is CC(N)CCCC(C)C(=O)CCCC(F)(F)F.
What is the InChIKey of 10-amino-1,1,1-trifluoro-6-methylundecan-5-one?
The InChIKey is SPLZEKGLCAANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(5-3-6-10(2)16)11(17)7-4-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 10-amino-1,1,1-trifluoro-6-methylundecan-5-one?
10-amino-1,1,1-trifluoro-6-methylundecan-5-one has a molecular weight of 253.31 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-1,1,1-trifluoro-6-methylundecan-5-one is sourced from PubChem (CID 116574296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).