tert-butyl N-(2,5-difluorophenyl)carbamate

C11H13F2NO2 — CID 14690685

IUPACtert-butyl N-(2,5-difluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyGYGIJXBUYRDFKK-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl N-(2,5-difluorophenyl)carbamate

tert-butyl N-(2,5-difluorophenyl)carbamate (PubChem CID 14690685) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is tert-butyl N-(2,5-difluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-difluorophenyl)carbamate
PubChem CID14690685
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-(2,5-difluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyGYGIJXBUYRDFKK-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117455185
tert-butyl N-[5-(aminomethyl)-2-fluorophenyl]carbamate
CID 84701954
tert-butyl N-(2-fluoro-5-methylsulfonylphenyl)carbamate
CID 65143064
tert-butyl N-[2-fluoro-5-[(4-fluoro-2-iodobenzoyl)amino]phenyl]carbamate
CID 55967533
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117426191
tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117421544
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[2-fluoro-5-(3-oxopropyl)phenyl]carbamate
CID 117421608
tert-butyl N-[1-[(2,5-difluorophenyl)carbamoylamino]-3-hydroxypropan-2-yl]carbamate
CID 138047939

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-difluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2,5-difluorophenyl)carbamate (CID 14690685) is tert-butyl N-(2,5-difluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-difluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-difluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-(2,5-difluorophenyl)carbamate?
The InChIKey is GYGIJXBUYRDFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2,5-difluorophenyl)carbamate?
tert-butyl N-(2,5-difluorophenyl)carbamate has a molecular weight of 229.23 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-difluorophenyl)carbamate is sourced from PubChem (CID 14690685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).