ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate

C8H8F3NO3 — CID 71370060

IUPACethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C8H8F3NO3/c1-2-14-7(13)12-6-4-3-5(15-6)8(9,10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyACNOKPJNPZPMCE-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.87
Rot. Bonds2

About ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate

ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate (PubChem CID 71370060) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
PubChem CID71370060
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Nameethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C8H8F3NO3/c1-2-14-7(13)12-6-4-3-5(15-6)8(9,10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyACNOKPJNPZPMCE-UHFFFAOYSA-N
XLogP2.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.87
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
5-Trifluoromethyl-2-acetamidofuran
CID 85934454
Carbamic acid, (5-methyl-2-furanyl)-, 1,1-dimethylethyl ester
CID 10726590
N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 21434969
5-(Trifluoromethyl)furan-2-amine
CID 91884047
[5-(Trifluoromethyl)furan-2-yl]carbamic acid
CID 135357141
butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 153638828
2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate
CID 162690300
N,N-dimethyl-5-(trifluoromethyl)furan-2-amine
CID 167181620
4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
CID 168966903

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate (CID 71370060) is ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate is CCOC(=O)Nc1ccc(C(F)(F)F)o1.
What is the InChIKey of ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
The InChIKey is ACNOKPJNPZPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-2-14-7(13)12-6-4-3-5(15-6)8(9,10)11/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate has a molecular weight of 223.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(trifluoromethyl)furan-2-yl]carbamate is sourced from PubChem (CID 71370060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).