2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde

C17H12Cl2O2 — CID 123835336

IUPAC2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde
SMILESO=CC(Cl)c1ccc2c(c1)Cc1cc(C(Cl)C=O)ccc1-2
InChIInChI=1S/C17H12Cl2O2/c18-16(8-20)10-1-3-14-12(5-10)7-13-6-11(17(19)9-21)2-4-15(13)14/h1-6,8-9,16-17H,7H2
InChIKeyBKDYSALVTIZGPA-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.22
Rot. Bonds4

About 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde

2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde (PubChem CID 123835336) has the molecular formula C17H12Cl2O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde
PubChem CID123835336
Molecular FormulaC17H12Cl2O2
Molecular Weight319.19 g/mol
Exact Mass318.02
IUPAC Name2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde
SMILESO=CC(Cl)c1ccc2c(c1)Cc1cc(C(Cl)C=O)ccc1-2
InChIInChI=1S/C17H12Cl2O2/c18-16(8-20)10-1-3-14-12(5-10)7-13-6-11(17(19)9-21)2-4-15(13)14/h1-6,8-9,16-17H,7H2
InChIKeyBKDYSALVTIZGPA-UHFFFAOYSA-N
XLogP4.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde?
The IUPAC name of 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde (CID 123835336) is 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde.
What is the SMILES notation for 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde?
The canonical SMILES for 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde is O=CC(Cl)c1ccc2c(c1)Cc1cc(C(Cl)C=O)ccc1-2.
What is the InChIKey of 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde?
The InChIKey is BKDYSALVTIZGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O2/c18-16(8-20)10-1-3-14-12(5-10)7-13-6-11(17(19)9-21)2-4-15(13)14/h1-6,8-9,16-17H,7H2.
What are the key properties of 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde?
2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde has a molecular weight of 319.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[7-(1-chloro-2-oxoethyl)-9H-fluoren-2-yl]acetaldehyde is sourced from PubChem (CID 123835336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).