propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate

C9H10F2N2O2 — CID 68943795

IUPACpropan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate
SMILESCC(C)OC(=O)Nc1c(F)cncc1F
InChIInChI=1S/C9H10F2N2O2/c1-5(2)15-9(14)13-8-6(10)3-12-4-7(8)11/h3-5H,1-2H3,(H,12,13,14)
InChIKeyIYIIKYCHKOKYBO-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.32
Rot. Bonds2

About propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate

propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate (PubChem CID 68943795) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate
PubChem CID68943795
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namepropan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate
SMILESCC(C)OC(=O)Nc1c(F)cncc1F
InChIInChI=1S/C9H10F2N2O2/c1-5(2)15-9(14)13-8-6(10)3-12-4-7(8)11/h3-5H,1-2H3,(H,12,13,14)
InChIKeyIYIIKYCHKOKYBO-UHFFFAOYSA-N
XLogP2.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate?
The IUPAC name of propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate (CID 68943795) is propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate?
The canonical SMILES for propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate is CC(C)OC(=O)Nc1c(F)cncc1F.
What is the InChIKey of propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate?
The InChIKey is IYIIKYCHKOKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-5(2)15-9(14)13-8-6(10)3-12-4-7(8)11/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate?
propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate has a molecular weight of 216.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3,5-difluoro-4-pyridinyl)carbamate is sourced from PubChem (CID 68943795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).