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

C11H20F3NO3 — CID 61068983

IUPAC2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate
SMILESCCCCCCN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-2-3-4-5-6-15(7-8-16)10(17)18-9-11(12,13)14/h16H,2-9H2,1H3
InChIKeyNIDFOHZNXAZRAD-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.56
Rot. Bonds8

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

2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate (PubChem CID 61068983) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate
PubChem CID61068983
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate
SMILESCCCCCCN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-2-3-4-5-6-15(7-8-16)10(17)18-9-11(12,13)14/h16H,2-9H2,1H3
InChIKeyNIDFOHZNXAZRAD-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate (CID 61068983) is 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate is CCCCCCN(CCO)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
The InChIKey is NIDFOHZNXAZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-2-3-4-5-6-15(7-8-16)10(17)18-9-11(12,13)14/h16H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate has a molecular weight of 271.28 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 61068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).