6-amino-1,1,1-trifluoro-6-methylheptan-4-one

C8H14F3NO — CID 116581208

IUPAC6-amino-1,1,1-trifluoro-6-methylheptan-4-one
SMILESCC(C)(N)CC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,12)5-6(13)3-4-8(9,10)11/h3-5,12H2,1-2H3
InChIKeyIXYGMRRLVGLRNU-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.03
Rot. Bonds4

About 6-amino-1,1,1-trifluoro-6-methylheptan-4-one

6-amino-1,1,1-trifluoro-6-methylheptan-4-one (PubChem CID 116581208) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 6-amino-1,1,1-trifluoro-6-methylheptan-4-one.

Molecular Properties

Compound Name6-amino-1,1,1-trifluoro-6-methylheptan-4-one
PubChem CID116581208
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name6-amino-1,1,1-trifluoro-6-methylheptan-4-one
SMILESCC(C)(N)CC(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,12)5-6(13)3-4-8(9,10)11/h3-5,12H2,1-2H3
InChIKeyIXYGMRRLVGLRNU-UHFFFAOYSA-N
XLogP2.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,1,1-trifluoro-6-methylheptan-4-one?
The IUPAC name of 6-amino-1,1,1-trifluoro-6-methylheptan-4-one (CID 116581208) is 6-amino-1,1,1-trifluoro-6-methylheptan-4-one.
What is the SMILES notation for 6-amino-1,1,1-trifluoro-6-methylheptan-4-one?
The canonical SMILES for 6-amino-1,1,1-trifluoro-6-methylheptan-4-one is CC(C)(N)CC(=O)CCC(F)(F)F.
What is the InChIKey of 6-amino-1,1,1-trifluoro-6-methylheptan-4-one?
The InChIKey is IXYGMRRLVGLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,12)5-6(13)3-4-8(9,10)11/h3-5,12H2,1-2H3.
What are the key properties of 6-amino-1,1,1-trifluoro-6-methylheptan-4-one?
6-amino-1,1,1-trifluoro-6-methylheptan-4-one has a molecular weight of 197.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,1,1-trifluoro-6-methylheptan-4-one is sourced from PubChem (CID 116581208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).