3-ethyl-2,2-difluoro-3-hydroxypentanoic acid

C7H12F2O3 — CID 10487667

IUPAC3-ethyl-2,2-difluoro-3-hydroxypentanoic acid
SMILESCCC(O)(CC)C(F)(F)C(=O)O
InChIInChI=1S/C7H12F2O3/c1-3-6(12,4-2)7(8,9)5(10)11/h12H,3-4H2,1-2H3,(H,10,11)
InChIKeyIIQPZOQRDNTDAH-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.26
Rot. Bonds4

About 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid

3-ethyl-2,2-difluoro-3-hydroxypentanoic acid (PubChem CID 10487667) has the molecular formula C7H12F2O3 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid.

Molecular Properties

Compound Name3-ethyl-2,2-difluoro-3-hydroxypentanoic acid
PubChem CID10487667
Molecular FormulaC7H12F2O3
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Name3-ethyl-2,2-difluoro-3-hydroxypentanoic acid
SMILESCCC(O)(CC)C(F)(F)C(=O)O
InChIInChI=1S/C7H12F2O3/c1-3-6(12,4-2)7(8,9)5(10)11/h12H,3-4H2,1-2H3,(H,10,11)
InChIKeyIIQPZOQRDNTDAH-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid?
The IUPAC name of 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid (CID 10487667) is 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid.
What is the SMILES notation for 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid?
The canonical SMILES for 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid is CCC(O)(CC)C(F)(F)C(=O)O.
What is the InChIKey of 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid?
The InChIKey is IIQPZOQRDNTDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O3/c1-3-6(12,4-2)7(8,9)5(10)11/h12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid?
3-ethyl-2,2-difluoro-3-hydroxypentanoic acid has a molecular weight of 182.17 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-difluoro-3-hydroxypentanoic acid is sourced from PubChem (CID 10487667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).