[1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid

C11H11BrFNO2 — CID 67000015

IUPAC[1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(F)cc2Br)CCC1
InChIInChI=1S/C11H11BrFNO2/c12-9-6-7(13)2-3-8(9)11(4-1-5-11)14-10(15)16/h2-3,6,14H,1,4-5H2,(H,15,16)
InChIKeyBMMYDEGNVBZECZ-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.23
Rot. Bonds2

About [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid

[1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid (PubChem CID 67000015) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid
PubChem CID67000015
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name[1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(F)cc2Br)CCC1
InChIInChI=1S/C11H11BrFNO2/c12-9-6-7(13)2-3-8(9)11(4-1-5-11)14-10(15)16/h2-3,6,14H,1,4-5H2,(H,15,16)
InChIKeyBMMYDEGNVBZECZ-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid (CID 67000015) is [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid is O=C(O)NC1(c2ccc(F)cc2Br)CCC1.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid?
The InChIKey is BMMYDEGNVBZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-9-6-7(13)2-3-8(9)11(4-1-5-11)14-10(15)16/h2-3,6,14H,1,4-5H2,(H,15,16).
What are the key properties of [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid?
[1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid has a molecular weight of 288.12 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)cyclobutyl]carbamic acid is sourced from PubChem (CID 67000015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).