7-bromo-9,9-diethylfluorene-2-carbaldehyde

C18H17BrO — CID 15476349

IUPAC7-bromo-9,9-diethylfluorene-2-carbaldehyde
SMILESCCC1(CC)c2cc(Br)ccc2-c2ccc(C=O)cc21
InChIInChI=1S/C18H17BrO/c1-3-18(4-2)16-9-12(11-20)5-7-14(16)15-8-6-13(19)10-17(15)18/h5-11H,3-4H2,1-2H3
InChIKeySWNVRWVCXWZGEX-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.35
Rot. Bonds3

About 7-bromo-9,9-diethylfluorene-2-carbaldehyde

7-bromo-9,9-diethylfluorene-2-carbaldehyde (PubChem CID 15476349) has the molecular formula C18H17BrO and a molecular weight of 329.24 g/mol. Its IUPAC name is 7-bromo-9,9-diethylfluorene-2-carbaldehyde.

Molecular Properties

Compound Name7-bromo-9,9-diethylfluorene-2-carbaldehyde
PubChem CID15476349
Molecular FormulaC18H17BrO
Molecular Weight329.24 g/mol
Exact Mass328.05
IUPAC Name7-bromo-9,9-diethylfluorene-2-carbaldehyde
SMILESCCC1(CC)c2cc(Br)ccc2-c2ccc(C=O)cc21
InChIInChI=1S/C18H17BrO/c1-3-18(4-2)16-9-12(11-20)5-7-14(16)15-8-6-13(19)10-17(15)18/h5-11H,3-4H2,1-2H3
InChIKeySWNVRWVCXWZGEX-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9,9-diethylfluorene-2-carbaldehyde?
The IUPAC name of 7-bromo-9,9-diethylfluorene-2-carbaldehyde (CID 15476349) is 7-bromo-9,9-diethylfluorene-2-carbaldehyde.
What is the SMILES notation for 7-bromo-9,9-diethylfluorene-2-carbaldehyde?
The canonical SMILES for 7-bromo-9,9-diethylfluorene-2-carbaldehyde is CCC1(CC)c2cc(Br)ccc2-c2ccc(C=O)cc21.
What is the InChIKey of 7-bromo-9,9-diethylfluorene-2-carbaldehyde?
The InChIKey is SWNVRWVCXWZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO/c1-3-18(4-2)16-9-12(11-20)5-7-14(16)15-8-6-13(19)10-17(15)18/h5-11H,3-4H2,1-2H3.
What are the key properties of 7-bromo-9,9-diethylfluorene-2-carbaldehyde?
7-bromo-9,9-diethylfluorene-2-carbaldehyde has a molecular weight of 329.24 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9,9-diethylfluorene-2-carbaldehyde is sourced from PubChem (CID 15476349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).