(2,2-difluoro-1,3-dipentylcyclopropyl) acetate

C15H26F2O2 — CID 134859459

IUPAC(2,2-difluoro-1,3-dipentylcyclopropyl) acetate
SMILESCCCCCC1C(F)(F)C1(CCCCC)OC(C)=O
InChIInChI=1S/C15H26F2O2/c1-4-6-8-10-13-14(15(13,16)17,19-12(3)18)11-9-7-5-2/h13H,4-11H2,1-3H3
InChIKeyLWPDWWGSCNPTTC-UHFFFAOYSA-N
MW276.37 g/mol
LogP4.71
Rot. Bonds9

About (2,2-difluoro-1,3-dipentylcyclopropyl) acetate

(2,2-difluoro-1,3-dipentylcyclopropyl) acetate (PubChem CID 134859459) has the molecular formula C15H26F2O2 and a molecular weight of 276.37 g/mol. Its IUPAC name is (2,2-difluoro-1,3-dipentylcyclopropyl) acetate.

Molecular Properties

Compound Name(2,2-difluoro-1,3-dipentylcyclopropyl) acetate
PubChem CID134859459
Molecular FormulaC15H26F2O2
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name(2,2-difluoro-1,3-dipentylcyclopropyl) acetate
SMILESCCCCCC1C(F)(F)C1(CCCCC)OC(C)=O
InChIInChI=1S/C15H26F2O2/c1-4-6-8-10-13-14(15(13,16)17,19-12(3)18)11-9-7-5-2/h13H,4-11H2,1-3H3
InChIKeyLWPDWWGSCNPTTC-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1,3-dipentylcyclopropyl) acetate?
The IUPAC name of (2,2-difluoro-1,3-dipentylcyclopropyl) acetate (CID 134859459) is (2,2-difluoro-1,3-dipentylcyclopropyl) acetate.
What is the SMILES notation for (2,2-difluoro-1,3-dipentylcyclopropyl) acetate?
The canonical SMILES for (2,2-difluoro-1,3-dipentylcyclopropyl) acetate is CCCCCC1C(F)(F)C1(CCCCC)OC(C)=O.
What is the InChIKey of (2,2-difluoro-1,3-dipentylcyclopropyl) acetate?
The InChIKey is LWPDWWGSCNPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O2/c1-4-6-8-10-13-14(15(13,16)17,19-12(3)18)11-9-7-5-2/h13H,4-11H2,1-3H3.
What are the key properties of (2,2-difluoro-1,3-dipentylcyclopropyl) acetate?
(2,2-difluoro-1,3-dipentylcyclopropyl) acetate has a molecular weight of 276.37 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1,3-dipentylcyclopropyl) acetate is sourced from PubChem (CID 134859459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).