2-fluoro-3-(3-fluoropropoxy)propan-1-ol

C6H12F2O2 — CID 56610040

IUPAC2-fluoro-3-(3-fluoropropoxy)propan-1-ol
SMILESOCC(F)COCCCF
InChIInChI=1S/C6H12F2O2/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5H2
InChIKeyDGINSBCCVTUQLK-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds6

About 2-fluoro-3-(3-fluoropropoxy)propan-1-ol

2-fluoro-3-(3-fluoropropoxy)propan-1-ol (PubChem CID 56610040) has the molecular formula C6H12F2O2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-fluoro-3-(3-fluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(3-fluoropropoxy)propan-1-ol
PubChem CID56610040
Molecular FormulaC6H12F2O2
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Name2-fluoro-3-(3-fluoropropoxy)propan-1-ol
SMILESOCC(F)COCCCF
InChIInChI=1S/C6H12F2O2/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5H2
InChIKeyDGINSBCCVTUQLK-UHFFFAOYSA-N
XLogP0.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-fluoro-3-(3-fluoropropoxy)propan-1-ol?
The IUPAC name of 2-fluoro-3-(3-fluoropropoxy)propan-1-ol (CID 56610040) is 2-fluoro-3-(3-fluoropropoxy)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(3-fluoropropoxy)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(3-fluoropropoxy)propan-1-ol is OCC(F)COCCCF.
What is the InChIKey of 2-fluoro-3-(3-fluoropropoxy)propan-1-ol?
The InChIKey is DGINSBCCVTUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5H2.
What are the key properties of 2-fluoro-3-(3-fluoropropoxy)propan-1-ol?
2-fluoro-3-(3-fluoropropoxy)propan-1-ol has a molecular weight of 154.16 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-fluoropropoxy)propan-1-ol is sourced from PubChem (CID 56610040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).