(5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde

C12H14FNO2 — CID 134964327

IUPAC(5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde
SMILESCN1O[C@](C)(C=O)CC1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-12(8-15)7-11(14(2)16-12)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11?,12-/m0/s1
InChIKeyNPGNQHMCGZTHRR-KIYNQFGBSA-N
MW223.25 g/mol
LogP2.09
Rot. Bonds2

About (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde

(5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde (PubChem CID 134964327) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde
PubChem CID134964327
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde
SMILESCN1O[C@](C)(C=O)CC1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-12(8-15)7-11(14(2)16-12)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11?,12-/m0/s1
InChIKeyNPGNQHMCGZTHRR-KIYNQFGBSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde?
The IUPAC name of (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde (CID 134964327) is (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde?
The canonical SMILES for (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde is CN1O[C@](C)(C=O)CC1c1ccccc1F.
What is the InChIKey of (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde?
The InChIKey is NPGNQHMCGZTHRR-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(8-15)7-11(14(2)16-12)9-5-3-4-6-10(9)13/h3-6,8,11H,7H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde?
(5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde has a molecular weight of 223.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-fluorophenyl)-2,5-dimethyl-1,2-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 134964327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).