2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid

C10H11F3N2O4 — CID 61183975

IUPAC2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H11F3N2O4/c1-5-7(8(16)17)2-6(19-5)3-14-9(18)15-4-10(11,12)13/h2H,3-4H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyULVXSTGBJKVLRS-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.65
Rot. Bonds4

About 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid

2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid (PubChem CID 61183975) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid
PubChem CID61183975
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H11F3N2O4/c1-5-7(8(16)17)2-6(19-5)3-14-9(18)15-4-10(11,12)13/h2H,3-4H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyULVXSTGBJKVLRS-UHFFFAOYSA-N
XLogP1.65
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid (CID 61183975) is 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)NCC(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The InChIKey is ULVXSTGBJKVLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-5-7(8(16)17)2-6(19-5)3-14-9(18)15-4-10(11,12)13/h2H,3-4H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid has a molecular weight of 280.20 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2,2,2-trifluoroethylcarbamoylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61183975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).