5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one

C10H18F3NO — CID 79064385

IUPAC5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one
SMILESCCC(C)(C(=O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C10H18F3NO/c1-5-9(2,14(3)4)8(15)6-7-10(11,12)13/h5-7H2,1-4H3
InChIKeyKAKVTQFNUIAJHX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds5

About 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one

5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one (PubChem CID 79064385) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one.

Molecular Properties

Compound Name5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one
PubChem CID79064385
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one
SMILESCCC(C)(C(=O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C10H18F3NO/c1-5-9(2,14(3)4)8(15)6-7-10(11,12)13/h5-7H2,1-4H3
InChIKeyKAKVTQFNUIAJHX-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one?
The IUPAC name of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one (CID 79064385) is 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one.
What is the SMILES notation for 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one?
The canonical SMILES for 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one is CCC(C)(C(=O)CCC(F)(F)F)N(C)C.
What is the InChIKey of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one?
The InChIKey is KAKVTQFNUIAJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-5-9(2,14(3)4)8(15)6-7-10(11,12)13/h5-7H2,1-4H3.
What are the key properties of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one?
5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-one is sourced from PubChem (CID 79064385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).