2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate

C6H7BrF3NO2 — CID 115595059

IUPAC2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
SMILESC=C(Br)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C6H7BrF3NO2/c1-4(7)2-11-5(12)13-3-6(8,9)10/h1-3H2,(H,11,12)
InChIKeyAMQUIZHTAWFXDE-UHFFFAOYSA-N
MW262.02 g/mol
LogP2.18
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate

2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate (PubChem CID 115595059) has the molecular formula C6H7BrF3NO2 and a molecular weight of 262.02 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
PubChem CID115595059
Molecular FormulaC6H7BrF3NO2
Molecular Weight262.02 g/mol
Exact Mass260.96
IUPAC Name2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
SMILESC=C(Br)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C6H7BrF3NO2/c1-4(7)2-11-5(12)13-3-6(8,9)10/h1-3H2,(H,11,12)
InChIKeyAMQUIZHTAWFXDE-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
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2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
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2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
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2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
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2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 62734847
2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate
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CID 102701054

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate (CID 115595059) is 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate is C=C(Br)CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate?
The InChIKey is AMQUIZHTAWFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF3NO2/c1-4(7)2-11-5(12)13-3-6(8,9)10/h1-3H2,(H,11,12).
What are the key properties of 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate?
2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate has a molecular weight of 262.02 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate is sourced from PubChem (CID 115595059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).