tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate

C13H17F2NO3 — CID 97325978

IUPACtert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO3/c1-13(2,3)19-12(18)16-7-10(17)11-8(14)5-4-6-9(11)15/h4-6,10,17H,7H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyCGQPTOGTYZZVOO-JTQLQIEISA-N
MW273.28 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate (PubChem CID 97325978) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate
PubChem CID97325978
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Nametert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO3/c1-13(2,3)19-12(18)16-7-10(17)11-8(14)5-4-6-9(11)15/h4-6,10,17H,7H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyCGQPTOGTYZZVOO-JTQLQIEISA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylphenylethanolamine
CID 913
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Urea, (beta-hydroxyphenethyl)-
CID 212827
Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester
CID 4184071
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
benzyl N-[(2R)-1-hydroxybutan-2-yl]carbamate
CID 11020511
Flerobuterol
CID 71254
Butyl [2,2,2-trifluoro-1-[(2-hydroxy-2-phenylethyl)amino]-1-(trifluoromethyl)ethyl]carbamate
CID 2729327
Hexyl (2-hydroxy-2-phenylethyl)carbamate
CID 2840978
Pentyl (2-hydroxy-2-phenylethyl)carbamate
CID 2841235
1-Phenyl-2-(3-propan-2-yloxypropylamino)ethanol
CID 4355706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate (CID 97325978) is tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)c1c(F)cccc1F.
What is the InChIKey of tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate?
The InChIKey is CGQPTOGTYZZVOO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-13(2,3)19-12(18)16-7-10(17)11-8(14)5-4-6-9(11)15/h4-6,10,17H,7H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate?
tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate has a molecular weight of 273.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 97325978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).