(2S)-2-fluoropropanal

C3H5FO — CID 98007652

IUPAC(2S)-2-fluoropropanal
SMILESC[C@H](F)C=O
InChIInChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3/t3-/m0/s1
InChIKeyHFURQLWNYUCPHT-VKHMYHEASA-N
MW76.07 g/mol
LogP0.54
Rot. Bonds1

About (2S)-2-fluoropropanal

(2S)-2-fluoropropanal (PubChem CID 98007652) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is (2S)-2-fluoropropanal.

Molecular Properties

Compound Name(2S)-2-fluoropropanal
PubChem CID98007652
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name(2S)-2-fluoropropanal
SMILESC[C@H](F)C=O
InChIInChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3/t3-/m0/s1
InChIKeyHFURQLWNYUCPHT-VKHMYHEASA-N
XLogP0.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoropropanal?
The IUPAC name of (2S)-2-fluoropropanal (CID 98007652) is (2S)-2-fluoropropanal.
What is the SMILES notation for (2S)-2-fluoropropanal?
The canonical SMILES for (2S)-2-fluoropropanal is C[C@H](F)C=O.
What is the InChIKey of (2S)-2-fluoropropanal?
The InChIKey is HFURQLWNYUCPHT-VKHMYHEASA-N. The full InChI is InChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3/t3-/m0/s1.
What are the key properties of (2S)-2-fluoropropanal?
(2S)-2-fluoropropanal has a molecular weight of 76.07 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoropropanal is sourced from PubChem (CID 98007652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).