CID 166444141

C11H13F2 — CID 166444141

IUPAC—
SMILESFC(F)C[CH]CCc1ccccc1
InChIInChI=1S/C11H13F2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,11H,4,8-9H2
InChIKeyCZGOXPNHFOXQNO-UHFFFAOYSA-N
MW183.22 g/mol
LogP3.48
Rot. Bonds5

About CID 166444141

CID 166444141 (PubChem CID 166444141) has the molecular formula C11H13F2 and a molecular weight of 183.22 g/mol.

Molecular Properties

Compound NameCID 166444141
PubChem CID166444141
Molecular FormulaC11H13F2
Molecular Weight183.22 g/mol
Exact Mass183.10
IUPAC Name—
SMILESFC(F)C[CH]CCc1ccccc1
InChIInChI=1S/C11H13F2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,11H,4,8-9H2
InChIKeyCZGOXPNHFOXQNO-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 166444141?
The IUPAC name of CID 166444141 (CID 166444141) is not available.
What is the SMILES notation for CID 166444141?
The canonical SMILES for CID 166444141 is FC(F)C[CH]CCc1ccccc1.
What is the InChIKey of CID 166444141?
The InChIKey is CZGOXPNHFOXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,11H,4,8-9H2.
What are the key properties of CID 166444141?
CID 166444141 has a molecular weight of 183.22 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166444141 is sourced from PubChem (CID 166444141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).