5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde

C19H18FNO2 — CID 123706323

IUPAC5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde
SMILESC/N=C(/Cc1ccc(F)cc1C=O)c1ccc(C2(O)CC2)cc1
InChIInChI=1S/C19H18FNO2/c1-21-18(11-14-4-7-17(20)10-15(14)12-22)13-2-5-16(6-3-13)19(23)8-9-19/h2-7,10,12,23H,8-9,11H2,1H3/b21-18-
InChIKeyUCPORAPJWSEUND-UZYVYHOESA-N
MW311.36 g/mol
LogP3.28
Rot. Bonds5

About 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde

5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde (PubChem CID 123706323) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde
PubChem CID123706323
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde
SMILESC/N=C(/Cc1ccc(F)cc1C=O)c1ccc(C2(O)CC2)cc1
InChIInChI=1S/C19H18FNO2/c1-21-18(11-14-4-7-17(20)10-15(14)12-22)13-2-5-16(6-3-13)19(23)8-9-19/h2-7,10,12,23H,8-9,11H2,1H3/b21-18-
InChIKeyUCPORAPJWSEUND-UZYVYHOESA-N
XLogP3.28
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde?
The IUPAC name of 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde (CID 123706323) is 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde.
What is the SMILES notation for 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde?
The canonical SMILES for 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde is C/N=C(/Cc1ccc(F)cc1C=O)c1ccc(C2(O)CC2)cc1.
What is the InChIKey of 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde?
The InChIKey is UCPORAPJWSEUND-UZYVYHOESA-N. The full InChI is InChI=1S/C19H18FNO2/c1-21-18(11-14-4-7-17(20)10-15(14)12-22)13-2-5-16(6-3-13)19(23)8-9-19/h2-7,10,12,23H,8-9,11H2,1H3/b21-18-.
What are the key properties of 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde?
5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde has a molecular weight of 311.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-[4-(1-hydroxycyclopropyl)phenyl]-2-methyliminoethyl]benzaldehyde is sourced from PubChem (CID 123706323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).