2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate

C11H12F3NO3 — CID 61068662

IUPAC2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
SMILESO=C(NC1CCCc2occc21)OCC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)6-18-10(16)15-8-2-1-3-9-7(8)4-5-17-9/h4-5,8H,1-3,6H2,(H,15,16)
InChIKeyWNFDTDJLKPKLMR-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.95
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate

2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate (PubChem CID 61068662) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
PubChem CID61068662
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
SMILESO=C(NC1CCCc2occc21)OCC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)6-18-10(16)15-8-2-1-3-9-7(8)4-5-17-9/h4-5,8H,1-3,6H2,(H,15,16)
InChIKeyWNFDTDJLKPKLMR-UHFFFAOYSA-N
XLogP2.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 62477129
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273758
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
CID 107094040
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
CID 62233683
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate (CID 61068662) is 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate is O=C(NC1CCCc2occc21)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate?
The InChIKey is WNFDTDJLKPKLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)6-18-10(16)15-8-2-1-3-9-7(8)4-5-17-9/h4-5,8H,1-3,6H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate?
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate has a molecular weight of 263.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate is sourced from PubChem (CID 61068662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).