2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate

C12H14F3NO4 — CID 65173322

IUPAC2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1cccc(NC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO4/c1-18-5-6-19-10-4-2-3-9(7-10)16-11(17)20-8-12(13,14)15/h2-4,7H,5-6,8H2,1H3,(H,16,17)
InChIKeyLUVWOYOEWWTHID-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.82
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate

2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate (PubChem CID 65173322) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
PubChem CID65173322
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1cccc(NC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO4/c1-18-5-6-19-10-4-2-3-9(7-10)16-11(17)20-8-12(13,14)15/h2-4,7H,5-6,8H2,1H3,(H,16,17)
InChIKeyLUVWOYOEWWTHID-UHFFFAOYSA-N
XLogP2.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
CID 65173309
2,2,2-trifluoroethyl N-[3-(3-cyanopropoxy)phenyl]carbamate
CID 65173271
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate (CID 65173322) is 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate is COCCOc1cccc(NC(=O)OCC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate?
The InChIKey is LUVWOYOEWWTHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4/c1-18-5-6-19-10-4-2-3-9(7-10)16-11(17)20-8-12(13,14)15/h2-4,7H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate?
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate has a molecular weight of 293.24 g/mol, XLogP of 2.82, 6 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-[3-(2-methoxyethoxy)phenyl]carbamate is sourced from PubChem (CID 65173322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).