propan-2-yl N,N-difluorocarbamate

C4H7F2NO2 — CID 536200

IUPACpropan-2-yl N,N-difluorocarbamate
SMILESCC(C)OC(=O)N(F)F
InChIInChI=1S/C4H7F2NO2/c1-3(2)9-4(8)7(5)6/h3H,1-2H3
InChIKeyLMXCSGPOLFPKBA-UHFFFAOYSA-N
MW139.10 g/mol
LogP1.60
Rot. Bonds1

About propan-2-yl N,N-difluorocarbamate

propan-2-yl N,N-difluorocarbamate (PubChem CID 536200) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is propan-2-yl N,N-difluorocarbamate.

Molecular Properties

Compound Namepropan-2-yl N,N-difluorocarbamate
PubChem CID536200
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Namepropan-2-yl N,N-difluorocarbamate
SMILESCC(C)OC(=O)N(F)F
InChIInChI=1S/C4H7F2NO2/c1-3(2)9-4(8)7(5)6/h3H,1-2H3
InChIKeyLMXCSGPOLFPKBA-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N,N-difluorocarbamate?
The IUPAC name of propan-2-yl N,N-difluorocarbamate (CID 536200) is propan-2-yl N,N-difluorocarbamate.
What is the SMILES notation for propan-2-yl N,N-difluorocarbamate?
The canonical SMILES for propan-2-yl N,N-difluorocarbamate is CC(C)OC(=O)N(F)F.
What is the InChIKey of propan-2-yl N,N-difluorocarbamate?
The InChIKey is LMXCSGPOLFPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-3(2)9-4(8)7(5)6/h3H,1-2H3.
What are the key properties of propan-2-yl N,N-difluorocarbamate?
propan-2-yl N,N-difluorocarbamate has a molecular weight of 139.10 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N,N-difluorocarbamate is sourced from PubChem (CID 536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).