1,2-bis(3-fluoropropoxy)pentane

C11H22F2O2 — CID 57074039

IUPAC1,2-bis(3-fluoropropoxy)pentane
SMILESCCCC(COCCCF)OCCCF
InChIInChI=1S/C11H22F2O2/c1-2-5-11(15-9-4-7-13)10-14-8-3-6-12/h11H,2-10H2,1H3
InChIKeyRJZRRVSHKJLQSP-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.91
Rot. Bonds11

About 1,2-bis(3-fluoropropoxy)pentane

1,2-bis(3-fluoropropoxy)pentane (PubChem CID 57074039) has the molecular formula C11H22F2O2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1,2-bis(3-fluoropropoxy)pentane.

Molecular Properties

Compound Name1,2-bis(3-fluoropropoxy)pentane
PubChem CID57074039
Molecular FormulaC11H22F2O2
Molecular Weight224.29 g/mol
Exact Mass224.16
IUPAC Name1,2-bis(3-fluoropropoxy)pentane
SMILESCCCC(COCCCF)OCCCF
InChIInChI=1S/C11H22F2O2/c1-2-5-11(15-9-4-7-13)10-14-8-3-6-12/h11H,2-10H2,1H3
InChIKeyRJZRRVSHKJLQSP-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-bis(3-fluoropropoxy)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-fluoropropoxy)pentane?
The IUPAC name of 1,2-bis(3-fluoropropoxy)pentane (CID 57074039) is 1,2-bis(3-fluoropropoxy)pentane.
What is the SMILES notation for 1,2-bis(3-fluoropropoxy)pentane?
The canonical SMILES for 1,2-bis(3-fluoropropoxy)pentane is CCCC(COCCCF)OCCCF.
What is the InChIKey of 1,2-bis(3-fluoropropoxy)pentane?
The InChIKey is RJZRRVSHKJLQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O2/c1-2-5-11(15-9-4-7-13)10-14-8-3-6-12/h11H,2-10H2,1H3.
What are the key properties of 1,2-bis(3-fluoropropoxy)pentane?
1,2-bis(3-fluoropropoxy)pentane has a molecular weight of 224.29 g/mol, XLogP of 2.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-fluoropropoxy)pentane is sourced from PubChem (CID 57074039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).