3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde

C11H12FNO — CID 169473500

IUPAC3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1cc(F)cc(C=O)c1
InChIInChI=1S/C11H12FNO/c1-13-4-2-3-9-5-10(8-14)7-11(12)6-9/h2-3,5-8,13H,4H2,1H3
InChIKeyXBJWBWRZUVZWDM-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.87
Rot. Bonds4

About 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde

3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde (PubChem CID 169473500) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
PubChem CID169473500
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
SMILESCNCC=Cc1cc(F)cc(C=O)c1
InChIInChI=1S/C11H12FNO/c1-13-4-2-3-9-5-10(8-14)7-11(12)6-9/h2-3,5-8,13H,4H2,1H3
InChIKeyXBJWBWRZUVZWDM-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.87
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

3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473286
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
3-(4-fluoro-2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473419
4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473520
2,6-difluoro-4-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496067
N-(3-fluoro-5-formylphenyl)methanesulfonamide
CID 119084410
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
The IUPAC name of 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde (CID 169473500) is 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde.
What is the SMILES notation for 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
The canonical SMILES for 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde is CNCC=Cc1cc(F)cc(C=O)c1.
What is the InChIKey of 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
The InChIKey is XBJWBWRZUVZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-4-2-3-9-5-10(8-14)7-11(12)6-9/h2-3,5-8,13H,4H2,1H3.
What are the key properties of 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde?
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde is sourced from PubChem (CID 169473500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).