2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate

C8H14F3NO3 — CID 62734847

IUPAC2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
SMILESCCC(C)(O)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-3-7(2,14)4-12-6(13)15-5-8(9,10)11/h14H,3-5H2,1-2H3,(H,12,13)
InChIKeyOWTAMWRVMQAVPO-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.44
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate

2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate (PubChem CID 62734847) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
PubChem CID62734847
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate
SMILESCCC(C)(O)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-3-7(2,14)4-12-6(13)15-5-8(9,10)11/h14H,3-5H2,1-2H3,(H,12,13)
InChIKeyOWTAMWRVMQAVPO-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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Related Compounds

2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110
2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 115427379
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
1-(2-hydroxy-2-methylbutyl)-2-methylguanidine
CID 62999063
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
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-hydroxy-2-methylbutyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate (CID 62734847) is 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate is CCC(C)(O)CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate?
The InChIKey is OWTAMWRVMQAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-3-7(2,14)4-12-6(13)15-5-8(9,10)11/h14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)carbamate?
2,2,2-trifluoroethyl N-(2-hydroxy-2-methylbutyl)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-(2-hydroxy-2-methylbutyl)carbamate is sourced from PubChem (CID 62734847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).