5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid

C8H7F3O4 — CID 82954819

IUPAC5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCC(F)(F)F)o1
InChIInChI=1S/C8H7F3O4/c9-8(10,11)3-4-14-6-2-1-5(15-6)7(12)13/h1-2H,3-4H2,(H,12,13)
InChIKeyRMVRNSWHEYOOIH-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.31
Rot. Bonds4

About 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid

5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid (PubChem CID 82954819) has the molecular formula C8H7F3O4 and a molecular weight of 224.13 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
PubChem CID82954819
Molecular FormulaC8H7F3O4
Molecular Weight224.13 g/mol
Exact Mass224.03
IUPAC Name5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCC(F)(F)F)o1
InChIInChI=1S/C8H7F3O4/c9-8(10,11)3-4-14-6-2-1-5(15-6)7(12)13/h1-2H,3-4H2,(H,12,13)
InChIKeyRMVRNSWHEYOOIH-UHFFFAOYSA-N
XLogP2.31
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Furancarboxylic acid
CID 6919
5-(Tetradecyloxy)-2-furoic acid
CID 115175
5-Phenoxyfuran-2-carboxylic acid
CID 2812790
4-(trifluoromethyl)furan-2-carboxylic Acid
CID 4056664
Acetyl Sumiki's acid
CID 10330015
2,5-Bis(hydroxymethyl)furan monoacetate
CID 12711087
5-(Trifluoromethyl)furan-2-carboxylic acid
CID 2777521
5-[(2,2,3,3-Tetrafluoropropoxy)methyl]furan-2-carboxylic acid
CID 660901
Methyl succinyl Sumiki's acid
CID 156012343
5-Methoxyfuran-2-carboxylic acid
CID 771107
5-Fluoro-2-furancarboxylic acid
CID 21363887
5-(ethoxymethyl)furan-2-carboxylic Acid
CID 4682007

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid (CID 82954819) is 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid is O=C(O)c1ccc(OCCC(F)(F)F)o1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid?
The InChIKey is RMVRNSWHEYOOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O4/c9-8(10,11)3-4-14-6-2-1-5(15-6)7(12)13/h1-2H,3-4H2,(H,12,13).
What are the key properties of 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid?
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid has a molecular weight of 224.13 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid is sourced from PubChem (CID 82954819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).