3-fluoropropanal;3-fluoropropan-1-ol

C6H12F2O2 — CID 158105072

IUPAC3-fluoropropanal;3-fluoropropan-1-ol
SMILESO=CCCF.OCCCF
InChIInChI=1S/C3H7FO.C3H5FO/c2*4-2-1-3-5/h5H,1-3H2;3H,1-2H2
InChIKeyFPSQTIGHWKRPKS-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.88
Rot. Bonds4

About 3-fluoropropanal;3-fluoropropan-1-ol

3-fluoropropanal;3-fluoropropan-1-ol (PubChem CID 158105072) has the molecular formula C6H12F2O2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-fluoropropanal;3-fluoropropan-1-ol.

Molecular Properties

Compound Name3-fluoropropanal;3-fluoropropan-1-ol
PubChem CID158105072
Molecular FormulaC6H12F2O2
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Name3-fluoropropanal;3-fluoropropan-1-ol
SMILESO=CCCF.OCCCF
InChIInChI=1S/C3H7FO.C3H5FO/c2*4-2-1-3-5/h5H,1-3H2;3H,1-2H2
InChIKeyFPSQTIGHWKRPKS-UHFFFAOYSA-N
XLogP0.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89310122
ethane-1,2-diol;pentanal
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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropanal;3-fluoropropan-1-ol?
The IUPAC name of 3-fluoropropanal;3-fluoropropan-1-ol (CID 158105072) is 3-fluoropropanal;3-fluoropropan-1-ol.
What is the SMILES notation for 3-fluoropropanal;3-fluoropropan-1-ol?
The canonical SMILES for 3-fluoropropanal;3-fluoropropan-1-ol is O=CCCF.OCCCF.
What is the InChIKey of 3-fluoropropanal;3-fluoropropan-1-ol?
The InChIKey is FPSQTIGHWKRPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO.C3H5FO/c2*4-2-1-3-5/h5H,1-3H2;3H,1-2H2.
What are the key properties of 3-fluoropropanal;3-fluoropropan-1-ol?
3-fluoropropanal;3-fluoropropan-1-ol has a molecular weight of 154.16 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropanal;3-fluoropropan-1-ol is sourced from PubChem (CID 158105072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).