5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one

C15H24F6O3 — CID 139651146

IUPAC5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one
SMILESCCCCC(O)(CC(F)(F)F)C(=O)C(O)(CCCC)CC(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-3-5-7-12(23,9-14(16,17)18)11(22)13(24,8-6-4-2)10-15(19,20)21/h23-24H,3-10H2,1-2H3
InChIKeyNNSHGQWGODFABX-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.30
Rot. Bonds10

About 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one

5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one (PubChem CID 139651146) has the molecular formula C15H24F6O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one.

Molecular Properties

Compound Name5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one
PubChem CID139651146
Molecular FormulaC15H24F6O3
Molecular Weight366.34 g/mol
Exact Mass366.16
IUPAC Name5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one
SMILESCCCCC(O)(CC(F)(F)F)C(=O)C(O)(CCCC)CC(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-3-5-7-12(23,9-14(16,17)18)11(22)13(24,8-6-4-2)10-15(19,20)21/h23-24H,3-10H2,1-2H3
InChIKeyNNSHGQWGODFABX-UHFFFAOYSA-N
XLogP4.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one?
The IUPAC name of 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one (CID 139651146) is 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one.
What is the SMILES notation for 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one?
The canonical SMILES for 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one is CCCCC(O)(CC(F)(F)F)C(=O)C(O)(CCCC)CC(F)(F)F.
What is the InChIKey of 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one?
The InChIKey is NNSHGQWGODFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3/c1-3-5-7-12(23,9-14(16,17)18)11(22)13(24,8-6-4-2)10-15(19,20)21/h23-24H,3-10H2,1-2H3.
What are the key properties of 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one?
5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one has a molecular weight of 366.34 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-5,7-bis(2,2,2-trifluoroethyl)undecan-6-one is sourced from PubChem (CID 139651146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).