2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate

C12H14F3NO4 — CID 65173487

IUPAC2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate
SMILESCCOc1ccc(NC(=O)OCC(F)(F)F)cc1OC
InChIInChI=1S/C12H14F3NO4/c1-3-19-9-5-4-8(6-10(9)18-2)16-11(17)20-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyUQMXETKZWUCPRN-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.20
Rot. Bonds5

About 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate

2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate (PubChem CID 65173487) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate
PubChem CID65173487
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate
SMILESCCOc1ccc(NC(=O)OCC(F)(F)F)cc1OC
InChIInChI=1S/C12H14F3NO4/c1-3-19-9-5-4-8(6-10(9)18-2)16-11(17)20-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyUQMXETKZWUCPRN-UHFFFAOYSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate
CID 103717280
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate (CID 65173487) is 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate is CCOc1ccc(NC(=O)OCC(F)(F)F)cc1OC.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate?
The InChIKey is UQMXETKZWUCPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4/c1-3-19-9-5-4-8(6-10(9)18-2)16-11(17)20-7-12(13,14)15/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate?
2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate has a molecular weight of 293.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-ethoxy-3-methoxyphenyl)carbamate is sourced from PubChem (CID 65173487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).