2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid

C10H9F3O3 — CID 69287496

IUPAC2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
SMILESC[C@@H](Oc1ccccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-6(10(11,12)13)16-8-5-3-2-4-7(8)9(14)15/h2-6H,1H3,(H,14,15)/t6-/m1/s1
InChIKeyUVCDHPYDXYEMJD-ZCFIWIBFSA-N
MW234.17 g/mol
LogP2.71
Rot. Bonds3

About 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid

2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid (PubChem CID 69287496) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
PubChem CID69287496
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
SMILESC[C@@H](Oc1ccccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-6(10(11,12)13)16-8-5-3-2-4-7(8)9(14)15/h2-6H,1H3,(H,14,15)/t6-/m1/s1
InChIKeyUVCDHPYDXYEMJD-ZCFIWIBFSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoate
CID 166453104
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(2-methyl-1-phenylpropoxy)benzoic acid
CID 66602603
2-pent-3-yn-2-yloxybenzoic acid
CID 139639377
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
3-nitro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 112576193
4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
CID 66277591
phenyl hydrogen carbonate;2-propan-2-yloxybenzoic acid
CID 66628962
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid?
The IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid (CID 69287496) is 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid?
The canonical SMILES for 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid is C[C@@H](Oc1ccccc1C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid?
The InChIKey is UVCDHPYDXYEMJD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-6(10(11,12)13)16-8-5-3-2-4-7(8)9(14)15/h2-6H,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid?
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 69287496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).