tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen

C14H19F2NO3 — CID 143562529

IUPACtert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1cc(F)ccc1F.[H][H]
InChIInChI=1S/C14H17F2NO3.H2/c1-14(2,3)20-13(19)17-8-11(18)7-9-6-10(15)4-5-12(9)16;/h4-6H,7-8H2,1-3H3,(H,17,19);1H
InChIKeyKDXWGVQMSMNTEF-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.85
Rot. Bonds4

About tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen

tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen (PubChem CID 143562529) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen
PubChem CID143562529
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1cc(F)ccc1F.[H][H]
InChIInChI=1S/C14H17F2NO3.H2/c1-14(2,3)20-13(19)17-8-11(18)7-9-6-10(15)4-5-12(9)16;/h4-6H,7-8H2,1-3H3,(H,17,19);1H
InChIKeyKDXWGVQMSMNTEF-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
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tert-butyl N-(2,5-difluorophenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen (CID 143562529) is tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen is CC(C)(C)OC(=O)NCC(=O)Cc1cc(F)ccc1F.[H][H].
What is the InChIKey of tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen?
The InChIKey is KDXWGVQMSMNTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3.H2/c1-14(2,3)20-13(19)17-8-11(18)7-9-6-10(15)4-5-12(9)16;/h4-6H,7-8H2,1-3H3,(H,17,19);1H.
What are the key properties of tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen?
tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen has a molecular weight of 287.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen is sourced from PubChem (CID 143562529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).