N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide

C11H14F3NO2 — CID 122159869

IUPACN-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
SMILESCC(C)(CCNC(=O)c1ccco1)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-10(2,11(12,13)14)5-6-15-9(16)8-4-3-7-17-8/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyXKTBBQZKACIUJP-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.99
Rot. Bonds4

About N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide

N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide (PubChem CID 122159869) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
PubChem CID122159869
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
SMILESCC(C)(CCNC(=O)c1ccco1)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-10(2,11(12,13)14)5-6-15-9(16)8-4-3-7-17-8/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyXKTBBQZKACIUJP-UHFFFAOYSA-N
XLogP2.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide 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

N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844
N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
CID 71875126
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-pent-3-ynylfuran-2-carboxamide
CID 115977286
N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
CID 33378211

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide?
The IUPAC name of N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide (CID 122159869) is N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide?
The canonical SMILES for N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide is CC(C)(CCNC(=O)c1ccco1)C(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide?
The InChIKey is XKTBBQZKACIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-10(2,11(12,13)14)5-6-15-9(16)8-4-3-7-17-8/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide?
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide is sourced from PubChem (CID 122159869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).