(4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one

C14H26F3NO — CID 153445193

IUPAC(4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one
SMILESCCN(CC)CCC[C@H](C(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-6-18(7-2)10-8-9-11(14(15,16)17)12(19)13(3,4)5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyFYHOIVLFDHADKT-LLVKDONJSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one

(4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one (PubChem CID 153445193) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one.

Molecular Properties

Compound Name(4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one
PubChem CID153445193
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name(4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one
SMILESCCN(CC)CCC[C@H](C(=O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-6-18(7-2)10-8-9-11(14(15,16)17)12(19)13(3,4)5/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyFYHOIVLFDHADKT-LLVKDONJSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one?
The IUPAC name of (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one (CID 153445193) is (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one.
What is the SMILES notation for (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one?
The canonical SMILES for (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one is CCN(CC)CCC[C@H](C(=O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one?
The InChIKey is FYHOIVLFDHADKT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-6-18(7-2)10-8-9-11(14(15,16)17)12(19)13(3,4)5/h11H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one?
(4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(diethylamino)-2,2-dimethyl-4-(trifluoromethyl)heptan-3-one is sourced from PubChem (CID 153445193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).