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

C10H12F3NO3 — CID 83680504

IUPACtert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C10H12F3NO3/c1-9(2,3)17-8(15)14-7-5-4-6(16-7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyPRJUVJAFEABIRF-UHFFFAOYSA-N
MW251.20 g/mol
LogP3.65
Rot. Bonds1

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

tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate (PubChem CID 83680504) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
PubChem CID83680504
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Nametert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C10H12F3NO3/c1-9(2,3)17-8(15)14-7-5-4-6(16-7)10(11,12)13/h4-5H,1-3H3,(H,14,15)
InChIKeyPRJUVJAFEABIRF-UHFFFAOYSA-N
XLogP3.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[(Tert-butoxy)carbonyl]amino}furan-2-carboxylic acid
CID 54775310
Ethyl (5-(trifluoromethyl)furan-2-yl)carbamate
CID 71370060
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
N,N-dimethyl-5-(trifluoromethyl)furan-2-amine
CID 167181620
2-methyl-4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
CID 170376532
N-methyl-5-(trifluoromethyl)furan-2-amine
CID 174679528
Methane;5-(trifluoromethyl)furan-2-amine
CID 174679536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate (CID 83680504) is tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)o1.
What is the InChIKey of tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
The InChIKey is PRJUVJAFEABIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-9(2,3)17-8(15)14-7-5-4-6(16-7)10(11,12)13/h4-5H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate?
tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate has a molecular weight of 251.20 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate is sourced from PubChem (CID 83680504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).