5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol

C11H22F3NO — CID 79061694

IUPAC5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol
SMILESCCC(CC)(C(O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C11H22F3NO/c1-5-10(6-2,15(3)4)9(16)7-8-11(12,13)14/h9,16H,5-8H2,1-4H3
InChIKeyKUTADXKKIKMDJO-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.81
Rot. Bonds6

About 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol

5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol (PubChem CID 79061694) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol.

Molecular Properties

Compound Name5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol
PubChem CID79061694
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol
SMILESCCC(CC)(C(O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C11H22F3NO/c1-5-10(6-2,15(3)4)9(16)7-8-11(12,13)14/h9,16H,5-8H2,1-4H3
InChIKeyKUTADXKKIKMDJO-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
The IUPAC name of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol (CID 79061694) is 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol.
What is the SMILES notation for 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
The canonical SMILES for 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol is CCC(CC)(C(O)CCC(F)(F)F)N(C)C.
What is the InChIKey of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
The InChIKey is KUTADXKKIKMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-10(6-2,15(3)4)9(16)7-8-11(12,13)14/h9,16H,5-8H2,1-4H3.
What are the key properties of 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol has a molecular weight of 241.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol is sourced from PubChem (CID 79061694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).