1,2-difluoro-2-(3-fluoropropoxymethyl)butane

C8H15F3O — CID 20676458

IUPAC1,2-difluoro-2-(3-fluoropropoxymethyl)butane
SMILESCCC(F)(CF)COCCCF
InChIInChI=1S/C8H15F3O/c1-2-8(11,6-10)7-12-5-3-4-9/h2-7H2,1H3
InChIKeyIYIXLBSTYHETSK-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.45
Rot. Bonds7

About 1,2-difluoro-2-(3-fluoropropoxymethyl)butane

1,2-difluoro-2-(3-fluoropropoxymethyl)butane (PubChem CID 20676458) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,2-difluoro-2-(3-fluoropropoxymethyl)butane.

Molecular Properties

Compound Name1,2-difluoro-2-(3-fluoropropoxymethyl)butane
PubChem CID20676458
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,2-difluoro-2-(3-fluoropropoxymethyl)butane
SMILESCCC(F)(CF)COCCCF
InChIInChI=1S/C8H15F3O/c1-2-8(11,6-10)7-12-5-3-4-9/h2-7H2,1H3
InChIKeyIYIXLBSTYHETSK-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.45
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-difluoro-2-(3-fluoropropoxymethyl)butane?
The IUPAC name of 1,2-difluoro-2-(3-fluoropropoxymethyl)butane (CID 20676458) is 1,2-difluoro-2-(3-fluoropropoxymethyl)butane.
What is the SMILES notation for 1,2-difluoro-2-(3-fluoropropoxymethyl)butane?
The canonical SMILES for 1,2-difluoro-2-(3-fluoropropoxymethyl)butane is CCC(F)(CF)COCCCF.
What is the InChIKey of 1,2-difluoro-2-(3-fluoropropoxymethyl)butane?
The InChIKey is IYIXLBSTYHETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-2-8(11,6-10)7-12-5-3-4-9/h2-7H2,1H3.
What are the key properties of 1,2-difluoro-2-(3-fluoropropoxymethyl)butane?
1,2-difluoro-2-(3-fluoropropoxymethyl)butane has a molecular weight of 184.20 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-2-(3-fluoropropoxymethyl)butane is sourced from PubChem (CID 20676458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).