5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid

C9H9F3O4 — CID 66275403

IUPAC5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
SMILESCC(OCc1ccc(C(=O)O)o1)C(F)(F)F
InChIInChI=1S/C9H9F3O4/c1-5(9(10,11)12)15-4-6-2-3-7(16-6)8(13)14/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyWOVWDHDISCSZDO-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.45
Rot. Bonds4

About 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid

5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid (PubChem CID 66275403) has the molecular formula C9H9F3O4 and a molecular weight of 238.16 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
PubChem CID66275403
Molecular FormulaC9H9F3O4
Molecular Weight238.16 g/mol
Exact Mass238.05
IUPAC Name5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
SMILESCC(OCc1ccc(C(=O)O)o1)C(F)(F)F
InChIInChI=1S/C9H9F3O4/c1-5(9(10,11)12)15-4-6-2-3-7(16-6)8(13)14/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyWOVWDHDISCSZDO-UHFFFAOYSA-N
XLogP2.45
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1,1-trifluoropropan-2-yloxymethyl)-1-benzofuran-2-carboxylic acid
CID 66277778
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
CID 66274886
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275770
5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
CID 165389443
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 66275553
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
CID 43126906
2-methoxy-5-(1,1,1-trifluoropropan-2-yloxymethyl)benzoic acid
CID 66277064
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid (CID 66275403) is 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid is CC(OCc1ccc(C(=O)O)o1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid?
The InChIKey is WOVWDHDISCSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O4/c1-5(9(10,11)12)15-4-6-2-3-7(16-6)8(13)14/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid?
5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid has a molecular weight of 238.16 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 66275403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).