propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate

C8H16FNO2 — CID 138552400

IUPACpropan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C)CF
InChIInChI=1S/C8H16FNO2/c1-6(2)12-7(11)10-8(3,4)5-9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyFRGQBGAEKUZUQJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds3

About propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate

propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate (PubChem CID 138552400) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate
PubChem CID138552400
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Namepropan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C)CF
InChIInChI=1S/C8H16FNO2/c1-6(2)12-7(11)10-8(3,4)5-9/h6H,5H2,1-4H3,(H,10,11)
InChIKeyFRGQBGAEKUZUQJ-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate (CID 138552400) is propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate is CC(C)OC(=O)NC(C)(C)CF.
What is the InChIKey of propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is FRGQBGAEKUZUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-6(2)12-7(11)10-8(3,4)5-9/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate?
propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 177.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-fluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 138552400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).