N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide

C8H6F3NO3 — CID 21434969

IUPACN-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(NC(=O)C(F)(F)F)o1
InChIInChI=1S/C8H6F3NO3/c1-4(13)5-2-3-6(15-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyVAQRCJWANOOSOA-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.98
Rot. Bonds2

About N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide

N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 21434969) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide
PubChem CID21434969
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC NameN-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1ccc(NC(=O)C(F)(F)F)o1
InChIInChI=1S/C8H6F3NO3/c1-4(13)5-2-3-6(15-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyVAQRCJWANOOSOA-UHFFFAOYSA-N
XLogP1.98
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-methoxycarbonylfuryl)-
CID 35757
tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 83680504
Ethyl 5-acetamido-2-furoate
CID 101243
Ethyl (5-(trifluoromethyl)furan-2-yl)carbamate
CID 71370060
5-Trifluoromethyl-2-acetamidofuran
CID 85934454
3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
CID 703675
(2E)-3-(5-acetyl(2-furyl))-N-phenylprop-2-enamide
CID 703678
Carbamic acid, (5-methyl-2-furanyl)-, 1,1-dimethylethyl ester
CID 10726590
[5-(Trifluoromethyl)furan-2-yl]carbamic acid
CID 135357141
butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 153638828
2-methyl-4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
CID 170376532
N-methyl-5-(trifluoromethyl)furan-2-amine
CID 174679528

Frequently Asked Questions

What is the IUPAC name of N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide (CID 21434969) is N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide is CC(=O)c1ccc(NC(=O)C(F)(F)F)o1.
What is the InChIKey of N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is VAQRCJWANOOSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-4(13)5-2-3-6(15-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide?
N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 221.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21434969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).