3-(2-fluoroethylamino)benzaldehyde

C9H10FNO — CID 84652613

IUPAC3-(2-fluoroethylamino)benzaldehyde
SMILESO=Cc1cccc(NCCF)c1
InChIInChI=1S/C9H10FNO/c10-4-5-11-9-3-1-2-8(6-9)7-12/h1-3,6-7,11H,4-5H2
InChIKeyIGPGVJHGPRYTDJ-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-fluoroethylamino)benzaldehyde

3-(2-fluoroethylamino)benzaldehyde (PubChem CID 84652613) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)benzaldehyde.

Molecular Properties

Compound Name3-(2-fluoroethylamino)benzaldehyde
PubChem CID84652613
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(2-fluoroethylamino)benzaldehyde
SMILESO=Cc1cccc(NCCF)c1
InChIInChI=1S/C9H10FNO/c10-4-5-11-9-3-1-2-8(6-9)7-12/h1-3,6-7,11H,4-5H2
InChIKeyIGPGVJHGPRYTDJ-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.88
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-(2-methoxyethylamino)benzaldehyde
CID 88893508
3-(tetradec-4-enylamino)benzaldehyde
CID 54044389
N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine
CID 89340469
azane;3-hydrazinylbenzaldehyde
CID 142389846
2,2,3-trifluoro-N-(3-formylphenyl)propanamide
CID 87575874
3-(naphthalen-2-ylmethylamino)benzaldehyde
CID 142658488
3-(oxan-4-ylmethylamino)benzaldehyde
CID 139402350
3-[3-(4-phenylpiperazin-1-yl)propylamino]benzaldehyde
CID 90656691
3-(anilinomethyl)benzaldehyde
CID 87371298
3-[4-(tert-butylamino)anilino]benzaldehyde
CID 168860115
3-ethynyl-N-(2-fluoroethyl)aniline
CID 80700246
benzene-1,3-dicarbaldehyde;ethane
CID 91375977

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)benzaldehyde?
The IUPAC name of 3-(2-fluoroethylamino)benzaldehyde (CID 84652613) is 3-(2-fluoroethylamino)benzaldehyde.
What is the SMILES notation for 3-(2-fluoroethylamino)benzaldehyde?
The canonical SMILES for 3-(2-fluoroethylamino)benzaldehyde is O=Cc1cccc(NCCF)c1.
What is the InChIKey of 3-(2-fluoroethylamino)benzaldehyde?
The InChIKey is IGPGVJHGPRYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-4-5-11-9-3-1-2-8(6-9)7-12/h1-3,6-7,11H,4-5H2.
What are the key properties of 3-(2-fluoroethylamino)benzaldehyde?
3-(2-fluoroethylamino)benzaldehyde has a molecular weight of 167.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)benzaldehyde is sourced from PubChem (CID 84652613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).