tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate

C11H18F3NO2 — CID 155199544

IUPACtert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-6-7-15(8(2)11(12,13)14)9(16)17-10(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyISOMCLZUSMAJSM-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate

tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate (PubChem CID 155199544) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
PubChem CID155199544
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nametert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-6-7-15(8(2)11(12,13)14)9(16)17-10(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyISOMCLZUSMAJSM-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.36
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 tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate (CID 155199544) is tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate is C=CCN(C(=O)OC(C)(C)C)C(C)C(F)(F)F.
What is the InChIKey of tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
The InChIKey is ISOMCLZUSMAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-6-7-15(8(2)11(12,13)14)9(16)17-10(3,4)5/h6,8H,1,7H2,2-5H3.
What are the key properties of tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate has a molecular weight of 253.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)carbamate is sourced from PubChem (CID 155199544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).