CID 175825723

C6H4F3NNaO — CID 175825723

IUPAC—
SMILESO=c1cccc(C(F)(F)F)[nH]1.[Na]
InChIInChI=1S/C6H4F3NO.Na/c7-6(8,9)4-2-1-3-5(11)10-4;/h1-3H,(H,10,11);
InChIKeyZNDIAJJPFNJCBC-UHFFFAOYSA-N
MW186.09 g/mol
LogP1.01
Rot. Bonds

About CID 175825723

CID 175825723 (PubChem CID 175825723) has the molecular formula C6H4F3NNaO and a molecular weight of 186.09 g/mol.

Molecular Properties

Compound NameCID 175825723
PubChem CID175825723
Molecular FormulaC6H4F3NNaO
Molecular Weight186.09 g/mol
Exact Mass186.01
IUPAC Name—
SMILESO=c1cccc(C(F)(F)F)[nH]1.[Na]
InChIInChI=1S/C6H4F3NO.Na/c7-6(8,9)4-2-1-3-5(11)10-4;/h1-3H,(H,10,11);
InChIKeyZNDIAJJPFNJCBC-UHFFFAOYSA-N
XLogP1.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 175825723?
The IUPAC name of CID 175825723 (CID 175825723) is not available.
What is the SMILES notation for CID 175825723?
The canonical SMILES for CID 175825723 is O=c1cccc(C(F)(F)F)[nH]1.[Na].
What is the InChIKey of CID 175825723?
The InChIKey is ZNDIAJJPFNJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.Na/c7-6(8,9)4-2-1-3-5(11)10-4;/h1-3H,(H,10,11);.
What are the key properties of CID 175825723?
CID 175825723 has a molecular weight of 186.09 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175825723 is sourced from PubChem (CID 175825723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).