2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid

C10H17FO3 — CID 81357963

IUPAC2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid
SMILESCC1(C)CC(C(F)C(=O)O)C(C)(C)O1
InChIInChI=1S/C10H17FO3/c1-9(2)5-6(7(11)8(12)13)10(3,4)14-9/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyDXMGVLDJXFPZDG-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.00
Rot. Bonds2

About 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid

2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid (PubChem CID 81357963) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid
PubChem CID81357963
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid
SMILESCC1(C)CC(C(F)C(=O)O)C(C)(C)O1
InChIInChI=1S/C10H17FO3/c1-9(2)5-6(7(11)8(12)13)10(3,4)14-9/h6-7H,5H2,1-4H3,(H,12,13)
InChIKeyDXMGVLDJXFPZDG-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
Ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 75478875
2-(5,5-Dimethyloxolan-3-yl)acetic acid
CID 131098872
2-[4-(2-Carboxypropan-2-yl)-5-(fluoromethyl)oxolan-3-yl]-2-methylpropanoic acid
CID 175787214
3-(2,2-Dimethyl-5-oxooxolan-3-yl)propanoic acid
CID 71521827
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]acetic acid
CID 740831
2-Fluoro-2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetic acid
CID 79933150
2-Fluoro-5-methoxy-3,5-dimethylhexanoic acid
CID 81358923
2-(2,5-Dimethyloxolan-3-yl)-2-fluoroacetic acid
CID 127015556
2-Fluoro-2-(5-methyloxolan-3-yl)acetic acid
CID 164648065
2-(4,4,5,5-Tetramethyl-2-oxooxolan-3-yl)acetic acid
CID 12652456
Methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate
CID 71521826

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid (CID 81357963) is 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid is CC1(C)CC(C(F)C(=O)O)C(C)(C)O1.
What is the InChIKey of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid?
The InChIKey is DXMGVLDJXFPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-9(2)5-6(7(11)8(12)13)10(3,4)14-9/h6-7H,5H2,1-4H3,(H,12,13).
What are the key properties of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid?
2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid has a molecular weight of 204.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid is sourced from PubChem (CID 81357963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).