2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate

C8H14F3NO3 — CID 115674561

IUPAC2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate
SMILESCC(C)(CCO)NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-7(2,3-4-13)12-6(14)15-5-8(9,10)11/h13H,3-5H2,1-2H3,(H,12,14)
InChIKeyKNBUIKORZWOILX-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.44
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate

2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate (PubChem CID 115674561) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate
PubChem CID115674561
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate
SMILESCC(C)(CCO)NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-7(2,3-4-13)12-6(14)15-5-8(9,10)11/h13H,3-5H2,1-2H3,(H,12,14)
InChIKeyKNBUIKORZWOILX-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate (CID 115674561) is 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate is CC(C)(CCO)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate?
The InChIKey is KNBUIKORZWOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-7(2,3-4-13)12-6(14)15-5-8(9,10)11/h13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate has a molecular weight of 229.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-hydroxy-2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 115674561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).