CID 67066042

C7HF3KN4O — CID 67066042

IUPAC—
SMILESN#Cc1nc(C(=O)C(F)(F)F)[nH]c1C#N.[K]
InChIInChI=1S/C7HF3N4O.K/c8-7(9,10)5(15)6-13-3(1-11)4(2-12)14-6;/h(H,13,14);
InChIKeyXKDSYXSMAHSNED-UHFFFAOYSA-N
MW253.20 g/mol
LogP0.52
Rot. Bonds1

About CID 67066042

CID 67066042 (PubChem CID 67066042) has the molecular formula C7HF3KN4O and a molecular weight of 253.20 g/mol.

Molecular Properties

Compound NameCID 67066042
PubChem CID67066042
Molecular FormulaC7HF3KN4O
Molecular Weight253.20 g/mol
Exact Mass252.97
IUPAC Name—
SMILESN#Cc1nc(C(=O)C(F)(F)F)[nH]c1C#N.[K]
InChIInChI=1S/C7HF3N4O.K/c8-7(9,10)5(15)6-13-3(1-11)4(2-12)14-6;/h(H,13,14);
InChIKeyXKDSYXSMAHSNED-UHFFFAOYSA-N
XLogP0.52
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 67066042?
The IUPAC name of CID 67066042 (CID 67066042) is not available.
What is the SMILES notation for CID 67066042?
The canonical SMILES for CID 67066042 is N#Cc1nc(C(=O)C(F)(F)F)[nH]c1C#N.[K].
What is the InChIKey of CID 67066042?
The InChIKey is XKDSYXSMAHSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF3N4O.K/c8-7(9,10)5(15)6-13-3(1-11)4(2-12)14-6;/h(H,13,14);.
What are the key properties of CID 67066042?
CID 67066042 has a molecular weight of 253.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67066042 is sourced from PubChem (CID 67066042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).