tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate

C13H16F3NO3 — CID 174502211

IUPACtert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-12(2,3)20-11(19)17(4)8-5-6-10(18)9(7-8)13(14,15)16/h5-7,18H,1-4H3
InChIKeyYJVQVZDSAMQSOE-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.78
Rot. Bonds1

About tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate

tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate (PubChem CID 174502211) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
PubChem CID174502211
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Nametert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-12(2,3)20-11(19)17(4)8-5-6-10(18)9(7-8)13(14,15)16/h5-7,18H,1-4H3
InChIKeyYJVQVZDSAMQSOE-UHFFFAOYSA-N
XLogP3.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 171654852
tert-butyl N-[6-azido-5-(trifluoromethyl)-3-pyridinyl]-N-methylcarbamate
CID 155632108
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-(3-amino-4-propan-2-ylphenyl)-N-methylcarbamate
CID 158285099
tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate
CID 68856186
tert-butyl N-(3-chloro-4-formylphenyl)-N-methylcarbamate
CID 58925806
tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate
CID 121004439
tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
CID 160630611
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate
CID 155465071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate (CID 174502211) is tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate?
The InChIKey is YJVQVZDSAMQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-12(2,3)20-11(19)17(4)8-5-6-10(18)9(7-8)13(14,15)16/h5-7,18H,1-4H3.
What are the key properties of tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate?
tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate has a molecular weight of 291.27 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 174502211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).