2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate

C7H12F3NO3 — CID 79349876

IUPAC2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate
SMILESCN(CCC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C7H12F3NO3/c1-11(3-2-7(8,9)10)6(13)14-5-4-12/h12H,2-5H2,1H3
InChIKeyMJDQQJHARUZIOB-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.00
Rot. Bonds4

About 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate

2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate (PubChem CID 79349876) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate
PubChem CID79349876
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate
SMILESCN(CCC(F)(F)F)C(=O)OCCO
InChIInChI=1S/C7H12F3NO3/c1-11(3-2-7(8,9)10)6(13)14-5-4-12/h12H,2-5H2,1H3
InChIKeyMJDQQJHARUZIOB-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate (CID 79349876) is 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate is CN(CCC(F)(F)F)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
The InChIKey is MJDQQJHARUZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-11(3-2-7(8,9)10)6(13)14-5-4-12/h12H,2-5H2,1H3.
What are the key properties of 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate is sourced from PubChem (CID 79349876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).