N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide

C8H5F6NO3 — CID 21204899

IUPACN-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
SMILESO=C(NC(O)(C(F)(F)F)C(F)(F)F)c1ccco1
InChIInChI=1S/C8H5F6NO3/c9-7(10,11)6(17,8(12,13)14)15-5(16)4-2-1-3-18-4/h1-3,17H,(H,15,16)
InChIKeyRRFBJYLEBZAYOR-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.82
Rot. Bonds2

About N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide

N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide (PubChem CID 21204899) has the molecular formula C8H5F6NO3 and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
PubChem CID21204899
Molecular FormulaC8H5F6NO3
Molecular Weight277.12 g/mol
Exact Mass277.02
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
SMILESO=C(NC(O)(C(F)(F)F)C(F)(F)F)c1ccco1
InChIInChI=1S/C8H5F6NO3/c9-7(10,11)6(17,8(12,13)14)15-5(16)4-2-1-3-18-4/h1-3,17H,(H,15,16)
InChIKeyRRFBJYLEBZAYOR-UHFFFAOYSA-N
XLogP1.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-hydroxypropanoate
CID 3751835
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 3708601
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
N-chlorofuran-2-carboxamide
CID 18537247
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-(pyridin-2-ylamino)propanoate
CID 3580849
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
N-[2-(2-fluorophenyl)propan-2-yl]furan-2-carboxamide
CID 110443410
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide
CID 126790408
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[1,1,1,3,3,3-hexafluoro-2-(pyridin-2-ylmethylamino)propan-2-yl]furan-2-carboxamide
CID 658458

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide (CID 21204899) is N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide is O=C(NC(O)(C(F)(F)F)C(F)(F)F)c1ccco1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide?
The InChIKey is RRFBJYLEBZAYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO3/c9-7(10,11)6(17,8(12,13)14)15-5(16)4-2-1-3-18-4/h1-3,17H,(H,15,16).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide?
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide has a molecular weight of 277.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 21204899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).