6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one

C11H20F3NO — CID 116577005

IUPAC6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
SMILESCC(C)CC(CN)CC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)5-9(7-15)6-10(16)3-4-11(12,13)14/h8-9H,3-7,15H2,1-2H3
InChIKeyNHRGVDVUGDQCIE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.91
Rot. Bonds7

About 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one

6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one (PubChem CID 116577005) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
PubChem CID116577005
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
SMILESCC(C)CC(CN)CC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)5-9(7-15)6-10(16)3-4-11(12,13)14/h8-9H,3-7,15H2,1-2H3
InChIKeyNHRGVDVUGDQCIE-UHFFFAOYSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4,4-difluoro-2-methyltridecan-5-one
CID 11615909
2-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 21660229
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
6-Amino-1,1,1-trifluoro-3-methylnonan-2-one
CID 88586887
3-(2-Aminoethyl)-3-fluorohexan-2-one
CID 91612917
(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
CID 121426448
2-(Aminomethyl)-4-(1,1-difluoropropyl)-3-methylcyclohexan-1-one
CID 135136296
7-Amino-4,4-difluoro-2-methylheptan-3-one
CID 138747779
7-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one
CID 139888232
(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
CID 163483566
3-Amino-4-(3,3-difluorocyclohexyl)butan-2-one
CID 167126220
(3R)-3-amino-4-(4,4-difluorocyclohexyl)butan-2-one
CID 167126222

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one?
The IUPAC name of 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one (CID 116577005) is 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one.
What is the SMILES notation for 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one?
The canonical SMILES for 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one is CC(C)CC(CN)CC(=O)CCC(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one?
The InChIKey is NHRGVDVUGDQCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)5-9(7-15)6-10(16)3-4-11(12,13)14/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one?
6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one has a molecular weight of 239.28 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one is sourced from PubChem (CID 116577005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).