1-fluoro-3-(3-fluoropropoxy)propane

C6H12F2O — CID 56776417

IUPAC1-fluoro-3-(3-fluoropropoxy)propane
SMILESFCCCOCCCF
InChIInChI=1S/C6H12F2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKeyBXMFLYHFMIHQRT-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.72
Rot. Bonds6

About 1-fluoro-3-(3-fluoropropoxy)propane

1-fluoro-3-(3-fluoropropoxy)propane (PubChem CID 56776417) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluoropropoxy)propane.

Molecular Properties

Compound Name1-fluoro-3-(3-fluoropropoxy)propane
PubChem CID56776417
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name1-fluoro-3-(3-fluoropropoxy)propane
SMILESFCCCOCCCF
InChIInChI=1S/C6H12F2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKeyBXMFLYHFMIHQRT-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.72
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-fluoro-3-(3-fluoropropoxy)propane?
The IUPAC name of 1-fluoro-3-(3-fluoropropoxy)propane (CID 56776417) is 1-fluoro-3-(3-fluoropropoxy)propane.
What is the SMILES notation for 1-fluoro-3-(3-fluoropropoxy)propane?
The canonical SMILES for 1-fluoro-3-(3-fluoropropoxy)propane is FCCCOCCCF.
What is the InChIKey of 1-fluoro-3-(3-fluoropropoxy)propane?
The InChIKey is BXMFLYHFMIHQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c7-3-1-5-9-6-2-4-8/h1-6H2.
What are the key properties of 1-fluoro-3-(3-fluoropropoxy)propane?
1-fluoro-3-(3-fluoropropoxy)propane has a molecular weight of 138.16 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-fluoropropoxy)propane is sourced from PubChem (CID 56776417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).