3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol

C15H25F7O3 — CID 89289919

IUPAC3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol
SMILESCC(C)(CCO)OCCOC(C)(C)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H25F7O3/c1-11(2,24-9-10-25-12(3,4)7-8-23)5-6-13(16,14(17,18)19)15(20,21)22/h23H,5-10H2,1-4H3
InChIKeyYQBZKSKGPVQSKQ-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.57
Rot. Bonds10

About 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol

3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol (PubChem CID 89289919) has the molecular formula C15H25F7O3 and a molecular weight of 386.35 g/mol. Its IUPAC name is 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol
PubChem CID89289919
Molecular FormulaC15H25F7O3
Molecular Weight386.35 g/mol
Exact Mass386.17
IUPAC Name3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol
SMILESCC(C)(CCO)OCCOC(C)(C)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H25F7O3/c1-11(2,24-9-10-25-12(3,4)7-8-23)5-6-13(16,14(17,18)19)15(20,21)22/h23H,5-10H2,1-4H3
InChIKeyYQBZKSKGPVQSKQ-UHFFFAOYSA-N
XLogP4.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol?
The IUPAC name of 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol (CID 89289919) is 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol?
The canonical SMILES for 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol is CC(C)(CCO)OCCOC(C)(C)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol?
The InChIKey is YQBZKSKGPVQSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F7O3/c1-11(2,24-9-10-25-12(3,4)7-8-23)5-6-13(16,14(17,18)19)15(20,21)22/h23H,5-10H2,1-4H3.
What are the key properties of 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol?
3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol has a molecular weight of 386.35 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-[5,6,6,6-tetrafluoro-2-methyl-5-(trifluoromethyl)hexan-2-yl]oxyethoxy]butan-1-ol is sourced from PubChem (CID 89289919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).