5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one

C15H24F6O3 — CID 151772322

IUPAC5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one
SMILESCCCCC(C(=O)C(CCCC)C(O)C(F)(F)F)C(O)C(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-3-5-7-9(12(23)14(16,17)18)11(22)10(8-6-4-2)13(24)15(19,20)21/h9-10,12-13,23-24H,3-8H2,1-2H3
InChIKeyRSVLKLIWMBKQAO-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.01
Rot. Bonds10

About 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one

5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one (PubChem CID 151772322) has the molecular formula C15H24F6O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one.

Molecular Properties

Compound Name5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one
PubChem CID151772322
Molecular FormulaC15H24F6O3
Molecular Weight366.34 g/mol
Exact Mass366.16
IUPAC Name5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one
SMILESCCCCC(C(=O)C(CCCC)C(O)C(F)(F)F)C(O)C(F)(F)F
InChIInChI=1S/C15H24F6O3/c1-3-5-7-9(12(23)14(16,17)18)11(22)10(8-6-4-2)13(24)15(19,20)21/h9-10,12-13,23-24H,3-8H2,1-2H3
InChIKeyRSVLKLIWMBKQAO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22121539
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CID 7154340
N,N-diethyl-2-(trifluoromethyl)decanamide
CID 87943520
N,N-diethyl-2-(trifluoromethyl)nonanamide
CID 87943381
5-(trifluoromethyl)undecan-6-one
CID 14914268
2-decyl-4,4,4-trifluorobutane-1,3-diol
CID 75153361
2,3-di(icosyl)butanedioic acid
CID 140519407
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2-(difluoromethyl)heptanoic acid
CID 14489844
diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390
2-butyl-3-methylbutanedioic acid;gold
CID 174979510
tetrabutylphosphanium;2,2,2-trifluoroacetate
CID 87558348

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one?
The IUPAC name of 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one (CID 151772322) is 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one.
What is the SMILES notation for 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one?
The canonical SMILES for 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one is CCCCC(C(=O)C(CCCC)C(O)C(F)(F)F)C(O)C(F)(F)F.
What is the InChIKey of 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one?
The InChIKey is RSVLKLIWMBKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3/c1-3-5-7-9(12(23)14(16,17)18)11(22)10(8-6-4-2)13(24)15(19,20)21/h9-10,12-13,23-24H,3-8H2,1-2H3.
What are the key properties of 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one?
5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one has a molecular weight of 366.34 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(2,2,2-trifluoro-1-hydroxyethyl)undecan-6-one is sourced from PubChem (CID 151772322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).