N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide

C10H13F3N2O2 — CID 110834036

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide
SMILESCC(C)(CN)NC(=O)c1cc(C(F)(F)F)co1
InChIInChI=1S/C10H13F3N2O2/c1-9(2,5-14)15-8(16)7-3-6(4-17-7)10(11,12)13/h3-4H,5,14H2,1-2H3,(H,15,16)
InChIKeyWQQLNEWPTHDMRS-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.77
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide

N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide (PubChem CID 110834036) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide
PubChem CID110834036
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide
SMILESCC(C)(CN)NC(=O)c1cc(C(F)(F)F)co1
InChIInChI=1S/C10H13F3N2O2/c1-9(2,5-14)15-8(16)7-3-6(4-17-7)10(11,12)13/h3-4H,5,14H2,1-2H3,(H,15,16)
InChIKeyWQQLNEWPTHDMRS-UHFFFAOYSA-N
XLogP1.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide (CID 110834036) is N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide is CC(C)(CN)NC(=O)c1cc(C(F)(F)F)co1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide?
The InChIKey is WQQLNEWPTHDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-9(2,5-14)15-8(16)7-3-6(4-17-7)10(11,12)13/h3-4H,5,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(trifluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 110834036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).