CID 139533902

C15H16F3NO3 — CID 139533902

IUPAC—
SMILESFC(F)(F)c1ccc2c(n1)OCC21CCC2(CC1)OCCO2
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)11-2-1-10-12(19-11)20-9-13(10)3-5-14(6-4-13)21-7-8-22-14/h1-2H,3-9H2
InChIKeyFQPOJWUJKYFIIN-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.05
Rot. Bonds

About CID 139533902

CID 139533902 (PubChem CID 139533902) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol.

Molecular Properties

Compound NameCID 139533902
PubChem CID139533902
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name—
SMILESFC(F)(F)c1ccc2c(n1)OCC21CCC2(CC1)OCCO2
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)11-2-1-10-12(19-11)20-9-13(10)3-5-14(6-4-13)21-7-8-22-14/h1-2H,3-9H2
InChIKeyFQPOJWUJKYFIIN-UHFFFAOYSA-N
XLogP3.05
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 139533902?
The IUPAC name of CID 139533902 (CID 139533902) is not available.
What is the SMILES notation for CID 139533902?
The canonical SMILES for CID 139533902 is FC(F)(F)c1ccc2c(n1)OCC21CCC2(CC1)OCCO2.
What is the InChIKey of CID 139533902?
The InChIKey is FQPOJWUJKYFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-15(17,18)11-2-1-10-12(19-11)20-9-13(10)3-5-14(6-4-13)21-7-8-22-14/h1-2H,3-9H2.
What are the key properties of CID 139533902?
CID 139533902 has a molecular weight of 315.29 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139533902 is sourced from PubChem (CID 139533902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).