tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate

C10H16F3NO3 — CID 162411497

IUPACtert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate
SMILESC=CCOC(NC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-6-16-7(10(11,12)13)14-8(15)17-9(2,3)4/h5,7H,1,6H2,2-4H3,(H,14,15)
InChIKeyYKESMAFWKMKFBG-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate

tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate (PubChem CID 162411497) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate
PubChem CID162411497
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nametert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate
SMILESC=CCOC(NC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-6-16-7(10(11,12)13)14-8(15)17-9(2,3)4/h5,7H,1,6H2,2-4H3,(H,14,15)
InChIKeyYKESMAFWKMKFBG-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate (CID 162411497) is tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate is C=CCOC(NC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate?
The InChIKey is YKESMAFWKMKFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-6-16-7(10(11,12)13)14-8(15)17-9(2,3)4/h5,7H,1,6H2,2-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate?
tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate has a molecular weight of 255.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2,2-trifluoro-1-prop-2-enoxyethyl)carbamate is sourced from PubChem (CID 162411497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).