[3-(2-fluoroethoxy)cyclobutyl]carbamic acid

C7H12FNO3 — CID 146585746

IUPAC[3-(2-fluoroethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OCCF)C1
InChIInChI=1S/C7H12FNO3/c8-1-2-12-6-3-5(4-6)9-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyRJGREUAMZDVDKD-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.77
Rot. Bonds4

About [3-(2-fluoroethoxy)cyclobutyl]carbamic acid

[3-(2-fluoroethoxy)cyclobutyl]carbamic acid (PubChem CID 146585746) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is [3-(2-fluoroethoxy)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-fluoroethoxy)cyclobutyl]carbamic acid
PubChem CID146585746
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name[3-(2-fluoroethoxy)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(OCCF)C1
InChIInChI=1S/C7H12FNO3/c8-1-2-12-6-3-5(4-6)9-7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKeyRJGREUAMZDVDKD-UHFFFAOYSA-N
XLogP0.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethoxy)cyclobutyl]carbamic acid?
The IUPAC name of [3-(2-fluoroethoxy)cyclobutyl]carbamic acid (CID 146585746) is [3-(2-fluoroethoxy)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-(2-fluoroethoxy)cyclobutyl]carbamic acid?
The canonical SMILES for [3-(2-fluoroethoxy)cyclobutyl]carbamic acid is O=C(O)NC1CC(OCCF)C1.
What is the InChIKey of [3-(2-fluoroethoxy)cyclobutyl]carbamic acid?
The InChIKey is RJGREUAMZDVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-1-2-12-6-3-5(4-6)9-7(10)11/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of [3-(2-fluoroethoxy)cyclobutyl]carbamic acid?
[3-(2-fluoroethoxy)cyclobutyl]carbamic acid has a molecular weight of 177.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethoxy)cyclobutyl]carbamic acid is sourced from PubChem (CID 146585746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).