2-fluoro-2-(oxan-2-yl)acetic acid

C7H11FO3 — CID 105431817

IUPAC2-fluoro-2-(oxan-2-yl)acetic acid
SMILESO=C(O)C(F)C1CCCCO1
InChIInChI=1S/C7H11FO3/c8-6(7(9)10)5-3-1-2-4-11-5/h5-6H,1-4H2,(H,9,10)
InChIKeyCJVNHIJTOKNQGJ-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.98
Rot. Bonds2

About 2-fluoro-2-(oxan-2-yl)acetic acid

2-fluoro-2-(oxan-2-yl)acetic acid (PubChem CID 105431817) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-fluoro-2-(oxan-2-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(oxan-2-yl)acetic acid
PubChem CID105431817
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-fluoro-2-(oxan-2-yl)acetic acid
SMILESO=C(O)C(F)C1CCCCO1
InChIInChI=1S/C7H11FO3/c8-6(7(9)10)5-3-1-2-4-11-5/h5-6H,1-4H2,(H,9,10)
InChIKeyCJVNHIJTOKNQGJ-UHFFFAOYSA-N
XLogP0.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
bis(oxan-2-yl)methanol
CID 173021788
(2S)-2-(methoxycarbonylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392106
2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid
CID 123665309
2-(1-fluoropropyl)oxane
CID 67686037
oxan-2-ylsilylformic acid
CID 123628710
(2S)-2-(benzylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392115
5-methyl-4-(oxan-2-yl)hexan-2-one
CID 176760505
4-(cyclohexylamino)-4-oxo-2-(oxolan-2-yl)butanoic acid
CID 3128933
(2R)-4-(cyclohexylamino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoic acid
CID 769844
3-(oxolan-2-yl)butanoic acid
CID 3727496
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxan-2-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(oxan-2-yl)acetic acid (CID 105431817) is 2-fluoro-2-(oxan-2-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(oxan-2-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(oxan-2-yl)acetic acid is O=C(O)C(F)C1CCCCO1.
What is the InChIKey of 2-fluoro-2-(oxan-2-yl)acetic acid?
The InChIKey is CJVNHIJTOKNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c8-6(7(9)10)5-3-1-2-4-11-5/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-fluoro-2-(oxan-2-yl)acetic acid?
2-fluoro-2-(oxan-2-yl)acetic acid has a molecular weight of 162.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxan-2-yl)acetic acid is sourced from PubChem (CID 105431817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).