4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid

C10H8F6O4 — CID 102721461

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O4/c1-4-5(2-6(20-4)7(17)18)3-19-8(9(11,12)13)10(14,15)16/h2,8H,3H2,1H3,(H,17,18)
InChIKeySTHZXZVQMYFJOB-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.30
Rot. Bonds4

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid (PubChem CID 102721461) has the molecular formula C10H8F6O4 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid
PubChem CID102721461
Molecular FormulaC10H8F6O4
Molecular Weight306.16 g/mol
Exact Mass306.03
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O4/c1-4-5(2-6(20-4)7(17)18)3-19-8(9(11,12)13)10(14,15)16/h2,8H,3H2,1H3,(H,17,18)
InChIKeySTHZXZVQMYFJOB-UHFFFAOYSA-N
XLogP3.30
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
5-methyl-4-(pentoxymethyl)furan-2-carboxylic acid
CID 62275146
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
5-methyl-4-[(2,4,6-tribromophenoxy)methyl]furan-2-carboxylic acid
CID 63416345
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274684
4-[(4-bromo-3-fluorophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 65203374
4-[2-[(5-carboxy-2-methylfuran-3-yl)methylsulfanyl]ethylsulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 21231587
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 79406595
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid (CID 102721461) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is STHZXZVQMYFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O4/c1-4-5(2-6(20-4)7(17)18)3-19-8(9(11,12)13)10(14,15)16/h2,8H,3H2,1H3,(H,17,18).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 306.16 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 102721461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).