2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol

C11H22F2O2 — CID 137410444

IUPAC2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
SMILESCCC(C)(CO)C(F)(F)C(C)(CC)CO
InChIInChI=1S/C11H22F2O2/c1-5-9(3,7-14)11(12,13)10(4,6-2)8-15/h14-15H,5-8H2,1-4H3
InChIKeySQAPSKLDVMSNKD-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.44
Rot. Bonds6

About 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol

2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol (PubChem CID 137410444) has the molecular formula C11H22F2O2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol.

Molecular Properties

Compound Name2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
PubChem CID137410444
Molecular FormulaC11H22F2O2
Molecular Weight224.29 g/mol
Exact Mass224.16
IUPAC Name2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
SMILESCCC(C)(CO)C(F)(F)C(C)(CC)CO
InChIInChI=1S/C11H22F2O2/c1-5-9(3,7-14)11(12,13)10(4,6-2)8-15/h14-15H,5-8H2,1-4H3
InChIKeySQAPSKLDVMSNKD-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol?
The IUPAC name of 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol (CID 137410444) is 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol.
What is the SMILES notation for 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol?
The canonical SMILES for 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol is CCC(C)(CO)C(F)(F)C(C)(CC)CO.
What is the InChIKey of 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol?
The InChIKey is SQAPSKLDVMSNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O2/c1-5-9(3,7-14)11(12,13)10(4,6-2)8-15/h14-15H,5-8H2,1-4H3.
What are the key properties of 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol?
2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol has a molecular weight of 224.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol is sourced from PubChem (CID 137410444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).