1-(2,3-difluoropropoxy)dodecane

C15H30F2O — CID 155931605

IUPAC1-(2,3-difluoropropoxy)dodecane
SMILESCCCCCCCCCCCCOCC(F)CF
InChIInChI=1S/C15H30F2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15H,2-14H2,1H3
InChIKeySZURSYNYNSSNBC-UHFFFAOYSA-N
MW264.40 g/mol
LogP5.23
Rot. Bonds14

About 1-(2,3-difluoropropoxy)dodecane

1-(2,3-difluoropropoxy)dodecane (PubChem CID 155931605) has the molecular formula C15H30F2O and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(2,3-difluoropropoxy)dodecane.

Molecular Properties

Compound Name1-(2,3-difluoropropoxy)dodecane
PubChem CID155931605
Molecular FormulaC15H30F2O
Molecular Weight264.40 g/mol
Exact Mass264.23
IUPAC Name1-(2,3-difluoropropoxy)dodecane
SMILESCCCCCCCCCCCCOCC(F)CF
InChIInChI=1S/C15H30F2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15H,2-14H2,1H3
InChIKeySZURSYNYNSSNBC-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2,3-difluoropropoxy)dodecane?
The IUPAC name of 1-(2,3-difluoropropoxy)dodecane (CID 155931605) is 1-(2,3-difluoropropoxy)dodecane.
What is the SMILES notation for 1-(2,3-difluoropropoxy)dodecane?
The canonical SMILES for 1-(2,3-difluoropropoxy)dodecane is CCCCCCCCCCCCOCC(F)CF.
What is the InChIKey of 1-(2,3-difluoropropoxy)dodecane?
The InChIKey is SZURSYNYNSSNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15H,2-14H2,1H3.
What are the key properties of 1-(2,3-difluoropropoxy)dodecane?
1-(2,3-difluoropropoxy)dodecane has a molecular weight of 264.40 g/mol, XLogP of 5.23, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoropropoxy)dodecane is sourced from PubChem (CID 155931605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).