3-fluoroacenaphthylene

C12H7F — CID 14046850

IUPAC3-fluoroacenaphthylene
SMILESFc1ccc2cccc3c2c1C=C3
InChIInChI=1S/C12H7F/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-7H
InChIKeyVXCBBFRREAAQDQ-UHFFFAOYSA-N
MW170.19 g/mol
LogP3.46
Rot. Bonds

About 3-fluoroacenaphthylene

3-fluoroacenaphthylene (PubChem CID 14046850) has the molecular formula C12H7F and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-fluoroacenaphthylene.

Molecular Properties

Compound Name3-fluoroacenaphthylene
PubChem CID14046850
Molecular FormulaC12H7F
Molecular Weight170.19 g/mol
Exact Mass170.05
IUPAC Name3-fluoroacenaphthylene
SMILESFc1ccc2cccc3c2c1C=C3
InChIInChI=1S/C12H7F/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-7H
InChIKeyVXCBBFRREAAQDQ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroacenaphthylene?
The IUPAC name of 3-fluoroacenaphthylene (CID 14046850) is 3-fluoroacenaphthylene.
What is the SMILES notation for 3-fluoroacenaphthylene?
The canonical SMILES for 3-fluoroacenaphthylene is Fc1ccc2cccc3c2c1C=C3.
What is the InChIKey of 3-fluoroacenaphthylene?
The InChIKey is VXCBBFRREAAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-7H.
What are the key properties of 3-fluoroacenaphthylene?
3-fluoroacenaphthylene has a molecular weight of 170.19 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroacenaphthylene is sourced from PubChem (CID 14046850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).