CID 164667093

C13H10F3O — CID 164667093

IUPAC—
SMILESFC(F)(F)C[C](c1ccccc1)c1ccco1
InChIInChI=1S/C13H10F3O/c14-13(15,16)9-11(12-7-4-8-17-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyPFVTWOYEJOCKSM-UHFFFAOYSA-N
MW239.22 g/mol
LogP4.20
Rot. Bonds3

About CID 164667093

CID 164667093 (PubChem CID 164667093) has the molecular formula C13H10F3O and a molecular weight of 239.22 g/mol.

Molecular Properties

Compound NameCID 164667093
PubChem CID164667093
Molecular FormulaC13H10F3O
Molecular Weight239.22 g/mol
Exact Mass239.07
IUPAC Name—
SMILESFC(F)(F)C[C](c1ccccc1)c1ccco1
InChIInChI=1S/C13H10F3O/c14-13(15,16)9-11(12-7-4-8-17-12)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyPFVTWOYEJOCKSM-UHFFFAOYSA-N
XLogP4.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 164667093?
The IUPAC name of CID 164667093 (CID 164667093) is not available.
What is the SMILES notation for CID 164667093?
The canonical SMILES for CID 164667093 is FC(F)(F)C[C](c1ccccc1)c1ccco1.
What is the InChIKey of CID 164667093?
The InChIKey is PFVTWOYEJOCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3O/c14-13(15,16)9-11(12-7-4-8-17-12)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of CID 164667093?
CID 164667093 has a molecular weight of 239.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164667093 is sourced from PubChem (CID 164667093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).