3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one

C10H18F3NO — CID 116573999

IUPAC3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one
SMILESCC(C)C(CN)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)8(6-14)9(15)4-3-5-10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyAEBSUHHYXYXGPH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.52
Rot. Bonds6

About 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one

3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one (PubChem CID 116573999) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one
PubChem CID116573999
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one
SMILESCC(C)C(CN)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)8(6-14)9(15)4-3-5-10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyAEBSUHHYXYXGPH-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53683365
6-Amino-1,1,1-trifluoro-3-methylnonan-2-one
CID 88586887
(3R)-3-(aminomethyl)-5-fluoro-5-methylhexan-2-one
CID 117960445
(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
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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
(2-Acetyl-4-fluoro-4-methylpentyl)azanium
CID 159752519
(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
CID 163483566
8-(2-Aminoethyl)-1,1,1-trifluoro-9,9-dimethyldecan-5-one
CID 113539082
7-(2-Aminoethyl)-1,1,1-trifluoro-8,8-dimethylnonan-4-one
CID 113539090

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one?
The IUPAC name of 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one (CID 116573999) is 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one.
What is the SMILES notation for 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one?
The canonical SMILES for 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one is CC(C)C(CN)C(=O)CCCC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one?
The InChIKey is AEBSUHHYXYXGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)8(6-14)9(15)4-3-5-10(11,12)13/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one?
3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-8,8,8-trifluoro-2-methyloctan-4-one is sourced from PubChem (CID 116573999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).