difluoromethylcyclobutane;formic acid

C6H10F2O2 — CID 174816284

IUPACdifluoromethylcyclobutane;formic acid
SMILESFC(F)C1CCC1.O=CO
InChIInChI=1S/C5H8F2.CH2O2/c6-5(7)4-2-1-3-4;2-1-3/h4-5H,1-3H2;1H,(H,2,3)
InChIKeyGESVELOJBIMTKY-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.75
Rot. Bonds1

About difluoromethylcyclobutane;formic acid

difluoromethylcyclobutane;formic acid (PubChem CID 174816284) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is difluoromethylcyclobutane;formic acid.

Molecular Properties

Compound Namedifluoromethylcyclobutane;formic acid
PubChem CID174816284
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Namedifluoromethylcyclobutane;formic acid
SMILESFC(F)C1CCC1.O=CO
InChIInChI=1S/C5H8F2.CH2O2/c6-5(7)4-2-1-3-4;2-1-3/h4-5H,1-3H2;1H,(H,2,3)
InChIKeyGESVELOJBIMTKY-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

difluoromethylcyclopentadecane
CID 101486578
difluoromethylcyclohexane
CID 11804807
1-(difluoromethyl)-3-methylcyclobutane;formic acid
CID 174816382
fluoroform;formic acid
CID 23325859
difluoromethylcyclohexane;propane
CID 144840509
1-[3-(difluoromethyl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 176833501
(2R)-2-cyclobutyl-2-fluoroethanol
CID 129462304
[4-(difluoromethyl)cyclohexyl]methanol
CID 84716982
4-(difluoromethyl)-2-fluoro-1-methylcycloheptane
CID 138475263
[chloro(fluoro)methyl]cyclohexane
CID 134937924
1-(difluoromethyl)-4-propan-2-ylcyclohexane;ethane
CID 167456625
[chloro(cyclobutyl)methyl]cyclobutane
CID 130528915

Frequently Asked Questions

What is the IUPAC name of difluoromethylcyclobutane;formic acid?
The IUPAC name of difluoromethylcyclobutane;formic acid (CID 174816284) is difluoromethylcyclobutane;formic acid.
What is the SMILES notation for difluoromethylcyclobutane;formic acid?
The canonical SMILES for difluoromethylcyclobutane;formic acid is FC(F)C1CCC1.O=CO.
What is the InChIKey of difluoromethylcyclobutane;formic acid?
The InChIKey is GESVELOJBIMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2.CH2O2/c6-5(7)4-2-1-3-4;2-1-3/h4-5H,1-3H2;1H,(H,2,3).
What are the key properties of difluoromethylcyclobutane;formic acid?
difluoromethylcyclobutane;formic acid has a molecular weight of 152.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylcyclobutane;formic acid is sourced from PubChem (CID 174816284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).