2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate

C9H12F3NO2 — CID 60705887

IUPAC2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-3-5-13(6-4-2)8(14)15-7-9(10,11)12/h3-4H,1-2,5-7H2
InChIKeyHDWNWTDAODYCGW-UHFFFAOYSA-N
MW223.19 g/mol
LogP2.36
Rot. Bonds5

About 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate

2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 60705887) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate
PubChem CID60705887
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-3-5-13(6-4-2)8(14)15-7-9(10,11)12/h3-4H,1-2,5-7H2
InChIKeyHDWNWTDAODYCGW-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate (CID 60705887) is 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is HDWNWTDAODYCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-3-5-13(6-4-2)8(14)15-7-9(10,11)12/h3-4H,1-2,5-7H2.
What are the key properties of 2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate?
2,2,2-trifluoroethyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 223.19 g/mol, XLogP of 2.36, 5 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,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 60705887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).