2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid

C10H17FO4 — CID 79366794

IUPAC2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid
SMILESCC(C)C1CC(O)(C(F)C(=O)O)CCO1
InChIInChI=1S/C10H17FO4/c1-6(2)7-5-10(14,3-4-15-7)8(11)9(12)13/h6-8,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyRNLGZVCRCUKPHS-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.98
Rot. Bonds3

About 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid

2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid (PubChem CID 79366794) has the molecular formula C10H17FO4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid
PubChem CID79366794
Molecular FormulaC10H17FO4
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid
SMILESCC(C)C1CC(O)(C(F)C(=O)O)CCO1
InChIInChI=1S/C10H17FO4/c1-6(2)7-5-10(14,3-4-15-7)8(11)9(12)13/h6-8,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyRNLGZVCRCUKPHS-UHFFFAOYSA-N
XLogP0.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid (CID 79366794) is 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid is CC(C)C1CC(O)(C(F)C(=O)O)CCO1.
What is the InChIKey of 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid?
The InChIKey is RNLGZVCRCUKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO4/c1-6(2)7-5-10(14,3-4-15-7)8(11)9(12)13/h6-8,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid?
2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid has a molecular weight of 220.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid is sourced from PubChem (CID 79366794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).