tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate

C14H19F2NO2 — CID 118336731

IUPACtert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-13(2,3)19-12(18)17-14(4,5)9-6-10(15)8-11(16)7-9/h6-8H,1-5H3,(H,17,18)
InChIKeyBAUFIQVWDFRMHM-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate

tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate (PubChem CID 118336731) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
PubChem CID118336731
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-13(2,3)19-12(18)17-14(4,5)9-6-10(15)8-11(16)7-9/h6-8H,1-5H3,(H,17,18)
InChIKeyBAUFIQVWDFRMHM-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
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tert-butyl N-[(1S)-1-(3-fluorophenyl)-2-hydroxy-1-iodoethyl]carbamate
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tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
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CID 157495902
CID 157495902
3-(3,5-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate (CID 118336731) is tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate?
The InChIKey is BAUFIQVWDFRMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-13(2,3)19-12(18)17-14(4,5)9-6-10(15)8-11(16)7-9/h6-8H,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate?
tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate has a molecular weight of 271.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 118336731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).