2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane

C20H40F2O3 — CID 134998563

IUPAC2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane
SMILESCCCCCOC(OC(OCCCCC)C(F)CCC)C(F)CCC
InChIInChI=1S/C20H40F2O3/c1-5-9-11-15-23-19(17(21)13-7-3)25-20(18(22)14-8-4)24-16-12-10-6-2/h17-20H,5-16H2,1-4H3
InChIKeyCUYKCSXVSSZYOR-UHFFFAOYSA-N
MW366.53 g/mol
LogP6.35
Rot. Bonds18

About 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane

2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane (PubChem CID 134998563) has the molecular formula C20H40F2O3 and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane.

Molecular Properties

Compound Name2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane
PubChem CID134998563
Molecular FormulaC20H40F2O3
Molecular Weight366.53 g/mol
Exact Mass366.29
IUPAC Name2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane
SMILESCCCCCOC(OC(OCCCCC)C(F)CCC)C(F)CCC
InChIInChI=1S/C20H40F2O3/c1-5-9-11-15-23-19(17(21)13-7-3)25-20(18(22)14-8-4)24-16-12-10-6-2/h17-20H,5-16H2,1-4H3
InChIKeyCUYKCSXVSSZYOR-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane?
The IUPAC name of 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane (CID 134998563) is 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane.
What is the SMILES notation for 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane?
The canonical SMILES for 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane is CCCCCOC(OC(OCCCCC)C(F)CCC)C(F)CCC.
What is the InChIKey of 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane?
The InChIKey is CUYKCSXVSSZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40F2O3/c1-5-9-11-15-23-19(17(21)13-7-3)25-20(18(22)14-8-4)24-16-12-10-6-2/h17-20H,5-16H2,1-4H3.
What are the key properties of 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane?
2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane has a molecular weight of 366.53 g/mol, XLogP of 6.35, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane is sourced from PubChem (CID 134998563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).