4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one

C19H37F2NO — CID 89300748

IUPAC4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one
SMILESCCC(C(F)F)C(N)C(=O)C(C)(CC(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C19H37F2NO/c1-9-13(16(20)21)14(22)15(23)19(8,18(6,7)11-3)12-17(4,5)10-2/h13-14,16H,9-12,22H2,1-8H3
InChIKeyZFZAJJUFGGYVIL-UHFFFAOYSA-N
MW333.51 g/mol
LogP5.44
Rot. Bonds10

About 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one

4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one (PubChem CID 89300748) has the molecular formula C19H37F2NO and a molecular weight of 333.51 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one
PubChem CID89300748
Molecular FormulaC19H37F2NO
Molecular Weight333.51 g/mol
Exact Mass333.28
IUPAC Name4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one
SMILESCCC(C(F)F)C(N)C(=O)C(C)(CC(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C19H37F2NO/c1-9-13(16(20)21)14(22)15(23)19(8,18(6,7)11-3)12-17(4,5)10-2/h13-14,16H,9-12,22H2,1-8H3
InChIKeyZFZAJJUFGGYVIL-UHFFFAOYSA-N
XLogP5.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one?
The IUPAC name of 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one (CID 89300748) is 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one?
The canonical SMILES for 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one is CCC(C(F)F)C(N)C(=O)C(C)(CC(C)(C)CC)C(C)(C)CC.
What is the InChIKey of 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one?
The InChIKey is ZFZAJJUFGGYVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F2NO/c1-9-13(16(20)21)14(22)15(23)19(8,18(6,7)11-3)12-17(4,5)10-2/h13-14,16H,9-12,22H2,1-8H3.
What are the key properties of 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one?
4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one has a molecular weight of 333.51 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(difluoromethyl)-6,8,8-trimethyl-6-(2-methylbutan-2-yl)decan-5-one is sourced from PubChem (CID 89300748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).