4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid

C11H10F4O3 — CID 67219946

IUPAC4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid
SMILESC[C@@H](F)COc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F4O3/c1-6(12)5-18-7-2-3-8(10(16)17)9(4-7)11(13,14)15/h2-4,6H,5H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyKHCQWJIRVCBPCA-ZCFIWIBFSA-N
MW266.19 g/mol
LogP3.14
Rot. Bonds4

About 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid

4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid (PubChem CID 67219946) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid
PubChem CID67219946
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid
SMILESC[C@@H](F)COc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F4O3/c1-6(12)5-18-7-2-3-8(10(16)17)9(4-7)11(13,14)15/h2-4,6H,5H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyKHCQWJIRVCBPCA-ZCFIWIBFSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
[4-(2-methylpropoxy)-2-(trifluoromethyl)phenyl]boronic acid
CID 56737670
2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
(2Z)-2-[4,4,7-trifluoro-1-[4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoyl]-2,3-dihydro-1-benzazepin-5-ylidene]acetyl chloride
CID 72700167
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
CID 170915770

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid (CID 67219946) is 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid is C[C@@H](F)COc1ccc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid?
The InChIKey is KHCQWJIRVCBPCA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F4O3/c1-6(12)5-18-7-2-3-8(10(16)17)9(4-7)11(13,14)15/h2-4,6H,5H2,1H3,(H,16,17)/t6-/m1/s1.
What are the key properties of 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid?
4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid has a molecular weight of 266.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-fluoropropoxy]-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 67219946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).