CID 174928965

C14H23BF3NO2 — CID 174928965

IUPAC—
SMILES[B]C(CCCC)(CCN1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C14H23BF3NO2/c1-2-3-6-13(15,12(20)21)7-10-19-8-4-11(5-9-19)14(16,17)18/h11H,2-10H2,1H3,(H,20,21)
InChIKeyZGPKBMCAQPRRRP-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.25
Rot. Bonds7

About CID 174928965

CID 174928965 (PubChem CID 174928965) has the molecular formula C14H23BF3NO2 and a molecular weight of 305.15 g/mol.

Molecular Properties

Compound NameCID 174928965
PubChem CID174928965
Molecular FormulaC14H23BF3NO2
Molecular Weight305.15 g/mol
Exact Mass305.18
IUPAC Name—
SMILES[B]C(CCCC)(CCN1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C14H23BF3NO2/c1-2-3-6-13(15,12(20)21)7-10-19-8-4-11(5-9-19)14(16,17)18/h11H,2-10H2,1H3,(H,20,21)
InChIKeyZGPKBMCAQPRRRP-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174928965?
The IUPAC name of CID 174928965 (CID 174928965) is not available.
What is the SMILES notation for CID 174928965?
The canonical SMILES for CID 174928965 is [B]C(CCCC)(CCN1CCC(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of CID 174928965?
The InChIKey is ZGPKBMCAQPRRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BF3NO2/c1-2-3-6-13(15,12(20)21)7-10-19-8-4-11(5-9-19)14(16,17)18/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of CID 174928965?
CID 174928965 has a molecular weight of 305.15 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174928965 is sourced from PubChem (CID 174928965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).