methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

C6H10F3NO3 — CID 103915601

IUPACmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-13-5(12)10(2-3-11)4-6(7,8)9/h11H,2-4H2,1H3
InChIKeyLYADRSWXMFAGQU-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.61
Rot. Bonds3

About methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate

methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 103915601) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID103915601
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-13-5(12)10(2-3-11)4-6(7,8)9/h11H,2-4H2,1H3
InChIKeyLYADRSWXMFAGQU-UHFFFAOYSA-N
XLogP0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 103915601) is methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is COC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is LYADRSWXMFAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-13-5(12)10(2-3-11)4-6(7,8)9/h11H,2-4H2,1H3.
What are the key properties of methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 201.14 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 103915601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).