2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate

C11H11BrF3NO2 — CID 65173693

IUPAC2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(Br)cc1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H11BrF3NO2/c1-16(10(17)18-7-11(13,14)15)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyFCUVSLRBQIKOMZ-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.58
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate

2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate (PubChem CID 65173693) has the molecular formula C11H11BrF3NO2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
PubChem CID65173693
Molecular FormulaC11H11BrF3NO2
Molecular Weight326.11 g/mol
Exact Mass324.99
IUPAC Name2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(Br)cc1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H11BrF3NO2/c1-16(10(17)18-7-11(13,14)15)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyFCUVSLRBQIKOMZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate (CID 65173693) is 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate is CN(Cc1ccc(Br)cc1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate?
The InChIKey is FCUVSLRBQIKOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2/c1-16(10(17)18-7-11(13,14)15)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate?
2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate has a molecular weight of 326.11 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(4-bromophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 65173693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).