methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate

C10H10F3NO2 — CID 611751

IUPACmethyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate
SMILESCOC(=O)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)14-8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,14,15)
InChIKeyKTOIUEXYSVFQKJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.65
Rot. Bonds2

About methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate

methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate (PubChem CID 611751) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate
PubChem CID611751
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate
SMILESCOC(=O)NC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)14-8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,14,15)
InChIKeyKTOIUEXYSVFQKJ-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate?
The IUPAC name of methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate (CID 611751) is methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate.
What is the SMILES notation for methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate?
The canonical SMILES for methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate is COC(=O)NC(c1ccccc1)C(F)(F)F.
What is the InChIKey of methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate?
The InChIKey is KTOIUEXYSVFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9(15)14-8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,14,15).
What are the key properties of methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate?
methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate has a molecular weight of 233.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2,2-trifluoro-1-phenylethyl)carbamate is sourced from PubChem (CID 611751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).