tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate

C14H19F2NO3 — CID 117113919

IUPACtert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(C)(C)O)cc(F)c1F
InChIInChI=1S/C14H19F2NO3/c1-13(2,3)20-12(18)17-10-7-8(14(4,5)19)6-9(15)11(10)16/h6-7,19H,1-5H3,(H,17,18)
InChIKeyCKIWNXKHZKYXCN-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate

tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate (PubChem CID 117113919) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
PubChem CID117113919
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(C)(C)O)cc(F)c1F
InChIInChI=1S/C14H19F2NO3/c1-13(2,3)20-12(18)17-10-7-8(14(4,5)19)6-9(15)11(10)16/h6-7,19H,1-5H3,(H,17,18)
InChIKeyCKIWNXKHZKYXCN-UHFFFAOYSA-N
XLogP3.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
methyl 3,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 177331943
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-[5-(2-aminooxyethyl)-2,3-difluorophenyl]carbamate
CID 117111440
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
CID 117116565
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(2-fluoro-5-formyl-3,4-dihydroxyphenyl)carbamate
CID 84809357

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate (CID 117113919) is tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(C(C)(C)O)cc(F)c1F.
What is the InChIKey of tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate?
The InChIKey is CKIWNXKHZKYXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-13(2,3)20-12(18)17-10-7-8(14(4,5)19)6-9(15)11(10)16/h6-7,19H,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate?
tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate has a molecular weight of 287.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate is sourced from PubChem (CID 117113919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).