4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde

C13H16FNO2 — CID 43544756

IUPAC4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde
SMILESCC1CN(c2ccc(C=O)cc2F)C(C)CO1
InChIInChI=1S/C13H16FNO2/c1-9-8-17-10(2)6-15(9)13-4-3-11(7-16)5-12(13)14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyFWZLHIIDBGIEQD-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds2

About 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde

4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde (PubChem CID 43544756) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde
PubChem CID43544756
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde
SMILESCC1CN(c2ccc(C=O)cc2F)C(C)CO1
InChIInChI=1S/C13H16FNO2/c1-9-8-17-10(2)6-15(9)13-4-3-11(7-16)5-12(13)14/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyFWZLHIIDBGIEQD-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one
CID 86171
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-(4-Methylpiperazin-1-yl)benzaldehyde
CID 736533
4-Morpholinoacetophenone
CID 38362
4-Morpholinobenzophenone
CID 90600
4-(Piperidin-1-yl)benzaldehyde
CID 291354
4'-Piperidinoacetophenone
CID 82561
4-(Dipropylamino)benzaldehyde
CID 69171
4'-Morpholinopropiophenone
CID 268475
4-Morpholinobenzaldehyde
CID 291349

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde (CID 43544756) is 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde is CC1CN(c2ccc(C=O)cc2F)C(C)CO1.
What is the InChIKey of 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde?
The InChIKey is FWZLHIIDBGIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-8-17-10(2)6-15(9)13-4-3-11(7-16)5-12(13)14/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde?
4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde has a molecular weight of 237.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylmorpholin-4-yl)-3-fluorobenzaldehyde is sourced from PubChem (CID 43544756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).