1-(difluoromethyl)-3-methylcyclobutane;formic acid

C7H12F2O2 — CID 174816382

IUPAC1-(difluoromethyl)-3-methylcyclobutane;formic acid
SMILESCC1CC(C(F)F)C1.O=CO
InChIInChI=1S/C6H10F2.CH2O2/c1-4-2-5(3-4)6(7)8;2-1-3/h4-6H,2-3H2,1H3;1H,(H,2,3)
InChIKeyMYQRUGIRBSLEJO-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.00
Rot. Bonds1

About 1-(difluoromethyl)-3-methylcyclobutane;formic acid

1-(difluoromethyl)-3-methylcyclobutane;formic acid (PubChem CID 174816382) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylcyclobutane;formic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylcyclobutane;formic acid
PubChem CID174816382
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name1-(difluoromethyl)-3-methylcyclobutane;formic acid
SMILESCC1CC(C(F)F)C1.O=CO
InChIInChI=1S/C6H10F2.CH2O2/c1-4-2-5(3-4)6(7)8;2-1-3/h4-6H,2-3H2,1H3;1H,(H,2,3)
InChIKeyMYQRUGIRBSLEJO-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.00
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

difluoromethylcyclobutane;formic acid
CID 174816284
formic acid;3-methylcyclobutan-1-ol
CID 175459565
formic acid;3-methylcyclobutan-1-amine
CID 175472209
fluoroform;formic acid
CID 23325859
1-(dichloromethyl)-3-methylcyclobutane
CID 89061461
2-[3-(difluoromethyl)cyclobutyl]acetamide
CID 123369829
formic acid;methylmercury
CID 161039463
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
1-(1-hydroperoxyethyl)-3-methylcyclobutane
CID 88563840
1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol
CID 129016942

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methylcyclobutane;formic acid?
The IUPAC name of 1-(difluoromethyl)-3-methylcyclobutane;formic acid (CID 174816382) is 1-(difluoromethyl)-3-methylcyclobutane;formic acid.
What is the SMILES notation for 1-(difluoromethyl)-3-methylcyclobutane;formic acid?
The canonical SMILES for 1-(difluoromethyl)-3-methylcyclobutane;formic acid is CC1CC(C(F)F)C1.O=CO.
What is the InChIKey of 1-(difluoromethyl)-3-methylcyclobutane;formic acid?
The InChIKey is MYQRUGIRBSLEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2.CH2O2/c1-4-2-5(3-4)6(7)8;2-1-3/h4-6H,2-3H2,1H3;1H,(H,2,3).
What are the key properties of 1-(difluoromethyl)-3-methylcyclobutane;formic acid?
1-(difluoromethyl)-3-methylcyclobutane;formic acid has a molecular weight of 166.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylcyclobutane;formic acid is sourced from PubChem (CID 174816382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).