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

C6H10F3NO2 — CID 141404621

IUPAC(1,1,1-trifluoro-2-methylbutan-2-yl) carbamate
SMILESCCC(C)(OC(N)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-5(2,6(7,8)9)12-4(10)11/h3H2,1-2H3,(H2,10,11)
InChIKeyGWAKNYRYCLSKGI-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.81
Rot. Bonds2

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

(1,1,1-trifluoro-2-methylbutan-2-yl) carbamate (PubChem CID 141404621) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylbutan-2-yl) carbamate
PubChem CID141404621
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(1,1,1-trifluoro-2-methylbutan-2-yl) carbamate
SMILESCCC(C)(OC(N)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-5(2,6(7,8)9)12-4(10)11/h3H2,1-2H3,(H2,10,11)
InChIKeyGWAKNYRYCLSKGI-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate?
The IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate (CID 141404621) is (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate.
What is the SMILES notation for (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate?
The canonical SMILES for (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate is CCC(C)(OC(N)=O)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate?
The InChIKey is GWAKNYRYCLSKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3-5(2,6(7,8)9)12-4(10)11/h3H2,1-2H3,(H2,10,11).
What are the key properties of (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate?
(1,1,1-trifluoro-2-methylbutan-2-yl) carbamate has a molecular weight of 185.14 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylbutan-2-yl) carbamate is sourced from PubChem (CID 141404621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).