[3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid

C7H11F2NO3 — CID 152539220

IUPAC[3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OCC(F)F)C1
InChIInChI=1S/C7H11F2NO3/c8-6(9)3-13-5-1-4(2-5)10-7(11)12/h4-6,10H,1-3H2,(H,11,12)
InChIKeyYLENWNZPJSCRBR-UHFFFAOYSA-N
MW195.16 g/mol
LogP1.07
Rot. Bonds4

About [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid

[3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid (PubChem CID 152539220) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid
PubChem CID152539220
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OCC(F)F)C1
InChIInChI=1S/C7H11F2NO3/c8-6(9)3-13-5-1-4(2-5)10-7(11)12/h4-6,10H,1-3H2,(H,11,12)
InChIKeyYLENWNZPJSCRBR-UHFFFAOYSA-N
XLogP1.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid?
The IUPAC name of [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid (CID 152539220) is [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid?
The canonical SMILES for [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid is O=C(O)NC1CC(OCC(F)F)C1.
What is the InChIKey of [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid?
The InChIKey is YLENWNZPJSCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-6(9)3-13-5-1-4(2-5)10-7(11)12/h4-6,10H,1-3H2,(H,11,12).
What are the key properties of [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid?
[3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid has a molecular weight of 195.16 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)cyclobutyl]carbamic acid is sourced from PubChem (CID 152539220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).