2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate

C9H16F3NO2 — CID 103465110

IUPAC2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
SMILESCCC(C)(C)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-4-8(2,3)5-13-7(14)15-6-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyWIHLCMCJTJCNLL-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.71
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate

2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate (PubChem CID 103465110) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
PubChem CID103465110
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
SMILESCCC(C)(C)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-4-8(2,3)5-13-7(14)15-6-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyWIHLCMCJTJCNLL-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
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CID 115427379
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
ethyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 79006290
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185
2,2,2-trifluoroethyl N-(2-bromoprop-2-enyl)carbamate
CID 115595059
2,2,2-trifluoroethyl 2-ethyl-2-methylpentanoate
CID 139362815

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate (CID 103465110) is 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate is CCC(C)(C)CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate?
The InChIKey is WIHLCMCJTJCNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-4-8(2,3)5-13-7(14)15-6-9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate?
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate has a molecular weight of 227.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate is sourced from PubChem (CID 103465110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).