CID 58663347

C12H19F3NO3 — CID 58663347

IUPAC—
SMILESCC1(C)CC(OC(=O)CC(F)(F)F)CC(C)(C)N1[O]
InChIInChI=1S/C12H19F3NO3/c1-10(2)5-8(6-11(3,4)16(10)18)19-9(17)7-12(13,14)15/h8H,5-7H2,1-4H3
InChIKeyXYUHCBPCPAVAIT-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.85
Rot. Bonds2

About CID 58663347

CID 58663347 (PubChem CID 58663347) has the molecular formula C12H19F3NO3 and a molecular weight of 282.28 g/mol.

Molecular Properties

Compound NameCID 58663347
PubChem CID58663347
Molecular FormulaC12H19F3NO3
Molecular Weight282.28 g/mol
Exact Mass282.13
IUPAC Name—
SMILESCC1(C)CC(OC(=O)CC(F)(F)F)CC(C)(C)N1[O]
InChIInChI=1S/C12H19F3NO3/c1-10(2)5-8(6-11(3,4)16(10)18)19-9(17)7-12(13,14)15/h8H,5-7H2,1-4H3
InChIKeyXYUHCBPCPAVAIT-UHFFFAOYSA-N
XLogP2.85
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58663347?
The IUPAC name of CID 58663347 (CID 58663347) is not available.
What is the SMILES notation for CID 58663347?
The canonical SMILES for CID 58663347 is CC1(C)CC(OC(=O)CC(F)(F)F)CC(C)(C)N1[O].
What is the InChIKey of CID 58663347?
The InChIKey is XYUHCBPCPAVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3NO3/c1-10(2)5-8(6-11(3,4)16(10)18)19-9(17)7-12(13,14)15/h8H,5-7H2,1-4H3.
What are the key properties of CID 58663347?
CID 58663347 has a molecular weight of 282.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58663347 is sourced from PubChem (CID 58663347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).