1-bromo-1-ethylcyclobutane;formic acid

C7H13BrO2 — CID 175164087

IUPAC1-bromo-1-ethylcyclobutane;formic acid
SMILESCCC1(Br)CCC1.O=CO
InChIInChI=1S/C6H11Br.CH2O2/c1-2-6(7)4-3-5-6;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyOZLAZQKWZPCQAL-UHFFFAOYSA-N
MW209.08 g/mol
LogP2.41
Rot. Bonds1

About 1-bromo-1-ethylcyclobutane;formic acid

1-bromo-1-ethylcyclobutane;formic acid (PubChem CID 175164087) has the molecular formula C7H13BrO2 and a molecular weight of 209.08 g/mol. Its IUPAC name is 1-bromo-1-ethylcyclobutane;formic acid.

Molecular Properties

Compound Name1-bromo-1-ethylcyclobutane;formic acid
PubChem CID175164087
Molecular FormulaC7H13BrO2
Molecular Weight209.08 g/mol
Exact Mass208.01
IUPAC Name1-bromo-1-ethylcyclobutane;formic acid
SMILESCCC1(Br)CCC1.O=CO
InChIInChI=1S/C6H11Br.CH2O2/c1-2-6(7)4-3-5-6;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyOZLAZQKWZPCQAL-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
1-bromo-1-propylcyclohexane
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formic acid;1-methylcyclohexan-1-ol
CID 163667859
(1-bromocyclohexyl)methanol
CID 86185872
(1-bromocycloheptyl)methanol
CID 134992800
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222
formic acid;propan-1-ol
CID 87192907
CID 168837766
CID 168837766
CID 172715081
CID 172715081
1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
CID 70582524
hydroxyformaldehyde
CID 11672690
(1-ethylcyclobutyl)methyl carbamate
CID 59266818

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-ethylcyclobutane;formic acid?
The IUPAC name of 1-bromo-1-ethylcyclobutane;formic acid (CID 175164087) is 1-bromo-1-ethylcyclobutane;formic acid.
What is the SMILES notation for 1-bromo-1-ethylcyclobutane;formic acid?
The canonical SMILES for 1-bromo-1-ethylcyclobutane;formic acid is CCC1(Br)CCC1.O=CO.
What is the InChIKey of 1-bromo-1-ethylcyclobutane;formic acid?
The InChIKey is OZLAZQKWZPCQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br.CH2O2/c1-2-6(7)4-3-5-6;2-1-3/h2-5H2,1H3;1H,(H,2,3).
What are the key properties of 1-bromo-1-ethylcyclobutane;formic acid?
1-bromo-1-ethylcyclobutane;formic acid has a molecular weight of 209.08 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-ethylcyclobutane;formic acid is sourced from PubChem (CID 175164087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).