3-amino-5-(trifluoromethyl)furan-2-carboxylic acid

C6H4F3NO3 — CID 82400701

IUPAC3-amino-5-(trifluoromethyl)furan-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1H,10H2,(H,11,12)
InChIKeyDQERQEHNFSIUFV-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.58
Rot. Bonds1

About 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid

3-amino-5-(trifluoromethyl)furan-2-carboxylic acid (PubChem CID 82400701) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(trifluoromethyl)furan-2-carboxylic acid
PubChem CID82400701
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Name3-amino-5-(trifluoromethyl)furan-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1H,10H2,(H,11,12)
InChIKeyDQERQEHNFSIUFV-UHFFFAOYSA-N
XLogP1.58
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-tert-butylfuran-2-carboxylic acid
CID 82407328
3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid
CID 174619847
4-amino-3-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
CID 82372535
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
3-(aminomethyl)-5-tert-butylfuran-2-carboxylic acid
CID 976763
4-amino-2,6-difluoro-3-(trifluoromethyl)benzoic acid
CID 19986955
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
CID 133055417
2-amino-4-(1,1,2,2,2-pentafluoroethyl)benzoic acid
CID 167162361
5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 131116980
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
3-amino-5-[3,5-bis(trifluoromethyl)phenyl]-N-(diaminomethylidene)furan-2-carboxamide
CID 146033793

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid (CID 82400701) is 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid is Nc1cc(C(F)(F)F)oc1C(=O)O.
What is the InChIKey of 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid?
The InChIKey is DQERQEHNFSIUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1H,10H2,(H,11,12).
What are the key properties of 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid?
3-amino-5-(trifluoromethyl)furan-2-carboxylic acid has a molecular weight of 195.10 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(trifluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 82400701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).