(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate

C6H10F3NO3 — CID 87692385

IUPAC(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate
SMILESCC(C)(O)C(OC(N)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(2,12)3(6(7,8)9)13-4(10)11/h3,12H,1-2H3,(H2,10,11)
InChIKeyCMSQIUVSZCZLJS-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.78
Rot. Bonds2

About (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate

(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate (PubChem CID 87692385) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate
PubChem CID87692385
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate
SMILESCC(C)(O)C(OC(N)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(2,12)3(6(7,8)9)13-4(10)11/h3,12H,1-2H3,(H2,10,11)
InChIKeyCMSQIUVSZCZLJS-UHFFFAOYSA-N
XLogP0.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate?
The IUPAC name of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate (CID 87692385) is (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate.
What is the SMILES notation for (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate?
The canonical SMILES for (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate is CC(C)(O)C(OC(N)=O)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate?
The InChIKey is CMSQIUVSZCZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-5(2,12)3(6(7,8)9)13-4(10)11/h3,12H,1-2H3,(H2,10,11).
What are the key properties of (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate?
(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate has a molecular weight of 201.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl) carbamate is sourced from PubChem (CID 87692385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).