CID 135026077

C17H16F3N2O2 — CID 135026077

IUPAC—
SMILESCC(C)(C)OC(=O)N1C=C[C]2c3ccccc3N=C(C(F)(F)F)C21
InChIInChI=1S/C17H16F3N2O2/c1-16(2,3)24-15(23)22-9-8-11-10-6-4-5-7-12(10)21-14(13(11)22)17(18,19)20/h4-9,13H,1-3H3
InChIKeyNWEZNDUUGRBFFB-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.39
Rot. Bonds

About CID 135026077

CID 135026077 (PubChem CID 135026077) has the molecular formula C17H16F3N2O2 and a molecular weight of 337.32 g/mol.

Molecular Properties

Compound NameCID 135026077
PubChem CID135026077
Molecular FormulaC17H16F3N2O2
Molecular Weight337.32 g/mol
Exact Mass337.12
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C=C[C]2c3ccccc3N=C(C(F)(F)F)C21
InChIInChI=1S/C17H16F3N2O2/c1-16(2,3)24-15(23)22-9-8-11-10-6-4-5-7-12(10)21-14(13(11)22)17(18,19)20/h4-9,13H,1-3H3
InChIKeyNWEZNDUUGRBFFB-UHFFFAOYSA-N
XLogP4.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 135026077?
The IUPAC name of CID 135026077 (CID 135026077) is not available.
What is the SMILES notation for CID 135026077?
The canonical SMILES for CID 135026077 is CC(C)(C)OC(=O)N1C=C[C]2c3ccccc3N=C(C(F)(F)F)C21.
What is the InChIKey of CID 135026077?
The InChIKey is NWEZNDUUGRBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N2O2/c1-16(2,3)24-15(23)22-9-8-11-10-6-4-5-7-12(10)21-14(13(11)22)17(18,19)20/h4-9,13H,1-3H3.
What are the key properties of CID 135026077?
CID 135026077 has a molecular weight of 337.32 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135026077 is sourced from PubChem (CID 135026077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).