(2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde

C8H6ClFO — CID 155166953

IUPAC(2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde
SMILESO=C[C@@H](F)c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-5,8H/t8-/m1/s1
InChIKeyAGYAZJSESPJZDS-MRVPVSSYSA-N
MW172.59 g/mol
LogP2.55
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde

(2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde (PubChem CID 155166953) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde
PubChem CID155166953
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name(2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde
SMILESO=C[C@@H](F)c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-5,8H/t8-/m1/s1
InChIKeyAGYAZJSESPJZDS-MRVPVSSYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.55
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-(4-chlorophenyl)-2-fluoroacetaldehyde?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde (CID 155166953) is (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde is O=C[C@@H](F)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde?
The InChIKey is AGYAZJSESPJZDS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-5,8H/t8-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde?
(2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde has a molecular weight of 172.59 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-fluoroacetaldehyde is sourced from PubChem (CID 155166953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).