methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate

C11H11F4NO3 — CID 150641345

IUPACmethyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate
SMILESCOC(=O)N(OC)C(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C11H11F4NO3/c1-18-10(17)16(19-2)9(11(13,14)15)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3
InChIKeyIZZADNUDBCXODI-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.06
Rot. Bonds3

About methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate

methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate (PubChem CID 150641345) has the molecular formula C11H11F4NO3 and a molecular weight of 281.21 g/mol. Its IUPAC name is methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate
PubChem CID150641345
Molecular FormulaC11H11F4NO3
Molecular Weight281.21 g/mol
Exact Mass281.07
IUPAC Namemethyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate
SMILESCOC(=O)N(OC)C(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C11H11F4NO3/c1-18-10(17)16(19-2)9(11(13,14)15)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3
InChIKeyIZZADNUDBCXODI-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-benzyl-N-(trifluoromethyl)carbamate
CID 162659460
methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
CID 115575391
methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 134794315
methyl N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 134798370
methyl N-[2-(2-fluorophenyl)ethyl]-N-methylcarbamate
CID 85816807
methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate
CID 115190841
Carbamic acid, methyl(phenylmethyl)-, methyl ester
CID 11008509
Methyl (2,2,2-trifluoro-1-phenylethyl) carbamate
CID 611751
Tert-butyl 3,3-difluoro-2-phenyl-2,6-dihydropyridine-1-carboxylate
CID 102027727
methyl N-(1-p-fluorophenylprop-2-enyl)carbamate
CID 129826077
ethyl (2R)-2-(4-fluorophenyl)-2H-pyridine-1-carboxylate
CID 132520300
tert-butyl N-(2,2-difluoro-1-phenylbut-3-enyl)-N-prop-2-enylcarbamate
CID 134832253

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate (CID 150641345) is methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate is COC(=O)N(OC)C(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is IZZADNUDBCXODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c1-18-10(17)16(19-2)9(11(13,14)15)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3.
What are the key properties of methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate?
methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 281.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxy-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 150641345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).