CID 173481561

C9H9FNa — CID 173481561

IUPAC—
SMILESFC=CCc1ccccc1.[Na]
InChIInChI=1S/C9H9F.Na/c10-8-4-7-9-5-2-1-3-6-9;/h1-6,8H,7H2;
InChIKeyOGONTFJTAFKZDN-UHFFFAOYSA-N
MW159.16 g/mol
LogP2.33
Rot. Bonds2

About CID 173481561

CID 173481561 (PubChem CID 173481561) has the molecular formula C9H9FNa and a molecular weight of 159.16 g/mol.

Molecular Properties

Compound NameCID 173481561
PubChem CID173481561
Molecular FormulaC9H9FNa
Molecular Weight159.16 g/mol
Exact Mass159.06
IUPAC Name—
SMILESFC=CCc1ccccc1.[Na]
InChIInChI=1S/C9H9F.Na/c10-8-4-7-9-5-2-1-3-6-9;/h1-6,8H,7H2;
InChIKeyOGONTFJTAFKZDN-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173481561?
The IUPAC name of CID 173481561 (CID 173481561) is not available.
What is the SMILES notation for CID 173481561?
The canonical SMILES for CID 173481561 is FC=CCc1ccccc1.[Na].
What is the InChIKey of CID 173481561?
The InChIKey is OGONTFJTAFKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F.Na/c10-8-4-7-9-5-2-1-3-6-9;/h1-6,8H,7H2;.
What are the key properties of CID 173481561?
CID 173481561 has a molecular weight of 159.16 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173481561 is sourced from PubChem (CID 173481561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).