N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide

C10H13F2NO2 — CID 154881679

IUPACN-tert-butyl-2-(difluoromethyl)furan-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccoc1C(F)F
InChIInChI=1S/C10H13F2NO2/c1-10(2,3)13-9(14)6-4-5-15-7(6)8(11)12/h4-5,8H,1-3H3,(H,13,14)
InChIKeyJHCBHMXRCJFVHO-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.75
Rot. Bonds2

About N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide

N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide (PubChem CID 154881679) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(difluoromethyl)furan-3-carboxamide
PubChem CID154881679
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC NameN-tert-butyl-2-(difluoromethyl)furan-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccoc1C(F)F
InChIInChI=1S/C10H13F2NO2/c1-10(2,3)13-9(14)6-4-5-15-7(6)8(11)12/h4-5,8H,1-3H3,(H,13,14)
InChIKeyJHCBHMXRCJFVHO-UHFFFAOYSA-N
XLogP2.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 61262797
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
N-tert-butyl-2-hydroxybenzamide
CID 139189948
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
[2-(tert-butylcarbamoyl)furan-3-yl] hydrogen carbonate
CID 67310208
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide?
The IUPAC name of N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide (CID 154881679) is N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide is CC(C)(C)NC(=O)c1ccoc1C(F)F.
What is the InChIKey of N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide?
The InChIKey is JHCBHMXRCJFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-10(2,3)13-9(14)6-4-5-15-7(6)8(11)12/h4-5,8H,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide?
N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(difluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 154881679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).