9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride

C14H19ClO2 — CID 122403035

IUPAC9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride
SMILESO=C(Cl)C1CCCC2C3CCCCC3C(=O)C12
InChIInChI=1S/C14H19ClO2/c15-14(17)11-7-3-6-9-8-4-1-2-5-10(8)13(16)12(9)11/h8-12H,1-7H2
InChIKeyVBKQXHHKJSJZEE-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.17
Rot. Bonds1

About 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride

9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride (PubChem CID 122403035) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride.

Molecular Properties

Compound Name9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride
PubChem CID122403035
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride
SMILESO=C(Cl)C1CCCC2C3CCCCC3C(=O)C12
InChIInChI=1S/C14H19ClO2/c15-14(17)11-7-3-6-9-8-4-1-2-5-10(8)13(16)12(9)11/h8-12H,1-7H2
InChIKeyVBKQXHHKJSJZEE-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride?
The IUPAC name of 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride (CID 122403035) is 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride.
What is the SMILES notation for 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride?
The canonical SMILES for 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride is O=C(Cl)C1CCCC2C3CCCCC3C(=O)C12.
What is the InChIKey of 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride?
The InChIKey is VBKQXHHKJSJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c15-14(17)11-7-3-6-9-8-4-1-2-5-10(8)13(16)12(9)11/h8-12H,1-7H2.
What are the key properties of 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride?
9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride has a molecular weight of 254.76 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene-1-carbonyl chloride is sourced from PubChem (CID 122403035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).