2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate

C13H16F3NO4 — CID 61067842

IUPAC2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1CN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C13H16F3NO4/c1-20-11-5-3-2-4-10(11)8-17(6-7-18)12(19)21-9-13(14,15)16/h2-5,18H,6-9H2,1H3
InChIKeyFNVBIVMZGNBHJF-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.19
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate

2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate (PubChem CID 61067842) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
PubChem CID61067842
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Name2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1CN(CCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C13H16F3NO4/c1-20-11-5-3-2-4-10(11)8-17(6-7-18)12(19)21-9-13(14,15)16/h2-5,18H,6-9H2,1H3
InChIKeyFNVBIVMZGNBHJF-UHFFFAOYSA-N
XLogP2.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-[2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569624
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889
1-(aminomethyl)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115452933
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate (CID 61067842) is 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate is COc1ccccc1CN(CCO)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
The InChIKey is FNVBIVMZGNBHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-20-11-5-3-2-4-10(11)8-17(6-7-18)12(19)21-9-13(14,15)16/h2-5,18H,6-9H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate?
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate has a molecular weight of 307.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 61067842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).