CID 89035429

C10H14BF3N2 — CID 89035429

IUPAC—
SMILES[B]Cc1c(CCCC)nc(C(F)(F)F)n1C
InChIInChI=1S/C10H14BF3N2/c1-3-4-5-7-8(6-11)16(2)9(15-7)10(12,13)14/h3-6H2,1-2H3
InChIKeyJFUYZFFTJAXHGR-UHFFFAOYSA-N
MW230.04 g/mol
LogP2.45
Rot. Bonds4

About CID 89035429

CID 89035429 (PubChem CID 89035429) has the molecular formula C10H14BF3N2 and a molecular weight of 230.04 g/mol.

Molecular Properties

Compound NameCID 89035429
PubChem CID89035429
Molecular FormulaC10H14BF3N2
Molecular Weight230.04 g/mol
Exact Mass230.12
IUPAC Name—
SMILES[B]Cc1c(CCCC)nc(C(F)(F)F)n1C
InChIInChI=1S/C10H14BF3N2/c1-3-4-5-7-8(6-11)16(2)9(15-7)10(12,13)14/h3-6H2,1-2H3
InChIKeyJFUYZFFTJAXHGR-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 89035429?
The IUPAC name of CID 89035429 (CID 89035429) is not available.
What is the SMILES notation for CID 89035429?
The canonical SMILES for CID 89035429 is [B]Cc1c(CCCC)nc(C(F)(F)F)n1C.
What is the InChIKey of CID 89035429?
The InChIKey is JFUYZFFTJAXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BF3N2/c1-3-4-5-7-8(6-11)16(2)9(15-7)10(12,13)14/h3-6H2,1-2H3.
What are the key properties of CID 89035429?
CID 89035429 has a molecular weight of 230.04 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89035429 is sourced from PubChem (CID 89035429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).