methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate

C16H26F6O3 — CID 166671382

IUPACmethyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate
SMILESCOC(=O)CCC(C)(C)CCC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H26F6O3/c1-12(2,7-6-11(23)25-5)8-9-13(3,4)10-14(24,15(17,18)19)16(20,21)22/h24H,6-10H2,1-5H3
InChIKeyXEGNKBVUFOPFBU-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.02
Rot. Bonds8

About methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate

methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate (PubChem CID 166671382) has the molecular formula C16H26F6O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate.

Molecular Properties

Compound Namemethyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate
PubChem CID166671382
Molecular FormulaC16H26F6O3
Molecular Weight380.37 g/mol
Exact Mass380.18
IUPAC Namemethyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate
SMILESCOC(=O)CCC(C)(C)CCC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H26F6O3/c1-12(2,7-6-11(23)25-5)8-9-13(3,4)10-14(24,15(17,18)19)16(20,21)22/h24H,6-10H2,1-5H3
InChIKeyXEGNKBVUFOPFBU-UHFFFAOYSA-N
XLogP5.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate with MolForge

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Related Compounds

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methyl 11,11,12,12,12-pentafluorododecanoate
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methyl 5-(dimethylamino)-4,4-difluoro-5-oxopentanoate
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methyl 5,5-dimethyl-9-oxodecanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate?
The IUPAC name of methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate (CID 166671382) is methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate.
What is the SMILES notation for methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate?
The canonical SMILES for methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate is COC(=O)CCC(C)(C)CCC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate?
The InChIKey is XEGNKBVUFOPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6O3/c1-12(2,7-6-11(23)25-5)8-9-13(3,4)10-14(24,15(17,18)19)16(20,21)22/h24H,6-10H2,1-5H3.
What are the key properties of methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate?
methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate has a molecular weight of 380.37 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate is sourced from PubChem (CID 166671382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).