6-amino-1,1,1-trifluoro-8-methylnonan-5-one

C10H18F3NO — CID 116553590

IUPAC6-amino-1,1,1-trifluoro-8-methylnonan-5-one
SMILESCC(C)CC(N)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)6-8(14)9(15)4-3-5-10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyAPBYEEQXFUPLSG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds6

About 6-amino-1,1,1-trifluoro-8-methylnonan-5-one

6-amino-1,1,1-trifluoro-8-methylnonan-5-one (PubChem CID 116553590) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-amino-1,1,1-trifluoro-8-methylnonan-5-one.

Molecular Properties

Compound Name6-amino-1,1,1-trifluoro-8-methylnonan-5-one
PubChem CID116553590
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6-amino-1,1,1-trifluoro-8-methylnonan-5-one
SMILESCC(C)CC(N)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)6-8(14)9(15)4-3-5-10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyAPBYEEQXFUPLSG-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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
7,7-Difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one
CID 20766372
2-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 21660229
(3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-one
CID 28820187
1,4-Diamino-2,2-difluoro-6-methylheptan-3-one
CID 53683365
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115482
(5S)-5-amino-1,1,1,2,2-pentafluoro-6-methylheptane-3,4-dione
CID 87991640
6-Amino-1,1,1-trifluoro-3-methylnonan-2-one
CID 88586887
4-Amino-7,7,7-trifluoro-2-methylheptan-3-one
CID 88980978
4-Amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one
CID 89300748
4-Amino-6-fluoro-2,6-dimethylheptan-3-one
CID 117813256

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,1,1-trifluoro-8-methylnonan-5-one?
The IUPAC name of 6-amino-1,1,1-trifluoro-8-methylnonan-5-one (CID 116553590) is 6-amino-1,1,1-trifluoro-8-methylnonan-5-one.
What is the SMILES notation for 6-amino-1,1,1-trifluoro-8-methylnonan-5-one?
The canonical SMILES for 6-amino-1,1,1-trifluoro-8-methylnonan-5-one is CC(C)CC(N)C(=O)CCCC(F)(F)F.
What is the InChIKey of 6-amino-1,1,1-trifluoro-8-methylnonan-5-one?
The InChIKey is APBYEEQXFUPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)6-8(14)9(15)4-3-5-10(11,12)13/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 6-amino-1,1,1-trifluoro-8-methylnonan-5-one?
6-amino-1,1,1-trifluoro-8-methylnonan-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.66, 6 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-8-methylnonan-5-one is sourced from PubChem (CID 116553590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).