2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

C11H17F6NO2 — CID 71672217

IUPAC2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
SMILESCCC(NC(=O)OCC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-5-9(10(12,13)14,11(15,16)17)18-7(19)20-6-8(2,3)4/h5-6H2,1-4H3,(H,18,19)
InChIKeyIFXJZROHGYWYAA-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.03
Rot. Bonds3

About 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate (PubChem CID 71672217) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
PubChem CID71672217
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
SMILESCCC(NC(=O)OCC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-5-9(10(12,13)14,11(15,16)17)18-7(19)20-6-8(2,3)4/h5-6H2,1-4H3,(H,18,19)
InChIKeyIFXJZROHGYWYAA-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 139295027
[(1R,2S)-2-methylcyclohexyl] N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
CID 693906
[(1S,3R,4S)-3,4-dimethylcyclohexyl] N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
CID 162811188
ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
1-propyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 2276908
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110
2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 62734847
2,2-dimethylpropyl acetate
CID 13552
2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672155
2,2-dimethylpropyl N-(2,5,5,7-tetramethyl-3,6-dioxooctan-2-yl)carbamate
CID 158591435

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate (CID 71672217) is 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate is CCC(NC(=O)OCC(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The InChIKey is IFXJZROHGYWYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-5-9(10(12,13)14,11(15,16)17)18-7(19)20-6-8(2,3)4/h5-6H2,1-4H3,(H,18,19).
What are the key properties of 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate has a molecular weight of 309.25 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate is sourced from PubChem (CID 71672217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).