7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one

C12H22F3NO — CID 116576952

IUPAC7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one
SMILESCC(C)CC(CN)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(2)6-10(8-16)7-11(17)4-3-5-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyOCRHKDYZGIJTFJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.30
Rot. Bonds8

About 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one

7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one (PubChem CID 116576952) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one.

Molecular Properties

Compound Name7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one
PubChem CID116576952
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one
SMILESCC(C)CC(CN)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(2)6-10(8-16)7-11(17)4-3-5-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyOCRHKDYZGIJTFJ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
The IUPAC name of 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one (CID 116576952) is 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one.
What is the SMILES notation for 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
The canonical SMILES for 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one is CC(C)CC(CN)CC(=O)CCCC(F)(F)F.
What is the InChIKey of 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
The InChIKey is OCRHKDYZGIJTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)6-10(8-16)7-11(17)4-3-5-12(13,14)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one?
7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one has a molecular weight of 253.31 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one is sourced from PubChem (CID 116576952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).