2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid

C15H20F2O2 — CID 143445784

IUPAC2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid
SMILESC=C1CCC(c2ccc(F)cc2F)C1.CC.O=CO
InChIInChI=1S/C12H12F2.C2H6.CH2O2/c1-8-2-3-9(6-8)11-5-4-10(13)7-12(11)14;1-2;2-1-3/h4-5,7,9H,1-3,6H2;1-2H3;1H,(H,2,3)
InChIKeyYKTNUXKOOATWBE-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.52
Rot. Bonds1

About 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid

2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid (PubChem CID 143445784) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid.

Molecular Properties

Compound Name2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid
PubChem CID143445784
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid
SMILESC=C1CCC(c2ccc(F)cc2F)C1.CC.O=CO
InChIInChI=1S/C12H12F2.C2H6.CH2O2/c1-8-2-3-9(6-8)11-5-4-10(13)7-12(11)14;1-2;2-1-3/h4-5,7,9H,1-3,6H2;1-2H3;1H,(H,2,3)
InChIKeyYKTNUXKOOATWBE-UHFFFAOYSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid?
The IUPAC name of 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid (CID 143445784) is 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid.
What is the SMILES notation for 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid?
The canonical SMILES for 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid is C=C1CCC(c2ccc(F)cc2F)C1.CC.O=CO.
What is the InChIKey of 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid?
The InChIKey is YKTNUXKOOATWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2.C2H6.CH2O2/c1-8-2-3-9(6-8)11-5-4-10(13)7-12(11)14;1-2;2-1-3/h4-5,7,9H,1-3,6H2;1-2H3;1H,(H,2,3).
What are the key properties of 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid?
2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid has a molecular weight of 270.32 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(3-methylidenecyclopentyl)benzene;ethane;formic acid is sourced from PubChem (CID 143445784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).