propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate

C11H11FN2O2 — CID 62316495

IUPACpropan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H11FN2O2/c1-7(2)16-11(15)14-9-3-4-10(12)8(5-9)6-13/h3-5,7H,1-2H3,(H,14,15)
InChIKeyYVQBEQLOSKSUIV-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.65
Rot. Bonds2

About propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate

propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate (PubChem CID 62316495) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
PubChem CID62316495
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Namepropan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H11FN2O2/c1-7(2)16-11(15)14-9-3-4-10(12)8(5-9)6-13/h3-5,7H,1-2H3,(H,14,15)
InChIKeyYVQBEQLOSKSUIV-UHFFFAOYSA-N
XLogP2.65
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate (CID 62316495) is propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate is CC(C)OC(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate?
The InChIKey is YVQBEQLOSKSUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(2)16-11(15)14-9-3-4-10(12)8(5-9)6-13/h3-5,7H,1-2H3,(H,14,15).
What are the key properties of propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate?
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate has a molecular weight of 222.22 g/mol, XLogP of 2.65, 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-cyano-4-fluorophenyl)carbamate is sourced from PubChem (CID 62316495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).