[3-(difluoromethoxy)cyclobutyl]carbamic acid

C6H9F2NO3 — CID 172755068

IUPAC[3-(difluoromethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OC(F)F)C1
InChIInChI=1S/C6H9F2NO3/c7-5(8)12-4-1-3(2-4)9-6(10)11/h3-5,9H,1-2H2,(H,10,11)
InChIKeyKXESTVKHAPRORF-UHFFFAOYSA-N
MW181.14 g/mol
LogP1.02
Rot. Bonds3

About [3-(difluoromethoxy)cyclobutyl]carbamic acid

[3-(difluoromethoxy)cyclobutyl]carbamic acid (PubChem CID 172755068) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is [3-(difluoromethoxy)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(difluoromethoxy)cyclobutyl]carbamic acid
PubChem CID172755068
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name[3-(difluoromethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OC(F)F)C1
InChIInChI=1S/C6H9F2NO3/c7-5(8)12-4-1-3(2-4)9-6(10)11/h3-5,9H,1-2H2,(H,10,11)
InChIKeyKXESTVKHAPRORF-UHFFFAOYSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)cyclobutyl]carbamic acid?
The IUPAC name of [3-(difluoromethoxy)cyclobutyl]carbamic acid (CID 172755068) is [3-(difluoromethoxy)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-(difluoromethoxy)cyclobutyl]carbamic acid?
The canonical SMILES for [3-(difluoromethoxy)cyclobutyl]carbamic acid is O=C(O)NC1CC(OC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxy)cyclobutyl]carbamic acid?
The InChIKey is KXESTVKHAPRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c7-5(8)12-4-1-3(2-4)9-6(10)11/h3-5,9H,1-2H2,(H,10,11).
What are the key properties of [3-(difluoromethoxy)cyclobutyl]carbamic acid?
[3-(difluoromethoxy)cyclobutyl]carbamic acid has a molecular weight of 181.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)cyclobutyl]carbamic acid is sourced from PubChem (CID 172755068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).