2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate

C11H12F3NO3 — CID 79349053

IUPAC2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1C(F)(F)F)OCCO
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-10(17)18-6-5-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyUBABIMPLYLTKDV-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.92
Rot. Bonds4

About 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate

2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 79349053) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID79349053
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1C(F)(F)F)OCCO
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-10(17)18-6-5-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyUBABIMPLYLTKDV-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119705501
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate (CID 79349053) is 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1ccccc1C(F)(F)F)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is UBABIMPLYLTKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-10(17)18-6-5-16/h1-4,16H,5-7H2,(H,15,17).
What are the key properties of 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate?
2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 263.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[[2-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 79349053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).