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

C7H12F3NO4 — CID 79346547

IUPAC2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(OCCO)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)5-11(1-2-12)6(14)15-4-3-13/h12-13H,1-5H2
InChIKeyMXBATQKXZRUITF-UHFFFAOYSA-N
MW231.17 g/mol
LogP-0.03
Rot. Bonds5

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

2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 79346547) has the molecular formula C7H12F3NO4 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID79346547
Molecular FormulaC7H12F3NO4
Molecular Weight231.17 g/mol
Exact Mass231.07
IUPAC Name2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(OCCO)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)5-11(1-2-12)6(14)15-4-3-13/h12-13H,1-5H2
InChIKeyMXBATQKXZRUITF-UHFFFAOYSA-N
XLogP-0.03
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate (CID 79346547) is 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is O=C(OCCO)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is MXBATQKXZRUITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4/c8-7(9,10)5-11(1-2-12)6(14)15-4-3-13/h12-13H,1-5H2.
What are the key properties of 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate?
2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 231.17 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 79346547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).