CID 19879592

C5H8BF3N — CID 19879592

IUPAC—
SMILESFN1CCCCC1(F)F.[B]
InChIInChI=1S/C5H8F3N.B/c6-5(7)3-1-2-4-9(5)8;/h1-4H2;
InChIKeyCEJFNMJERVYMHB-UHFFFAOYSA-N
MW149.93 g/mol
LogP1.57
Rot. Bonds

About CID 19879592

CID 19879592 (PubChem CID 19879592) has the molecular formula C5H8BF3N and a molecular weight of 149.93 g/mol.

Molecular Properties

Compound NameCID 19879592
PubChem CID19879592
Molecular FormulaC5H8BF3N
Molecular Weight149.93 g/mol
Exact Mass150.07
IUPAC Name—
SMILESFN1CCCCC1(F)F.[B]
InChIInChI=1S/C5H8F3N.B/c6-5(7)3-1-2-4-9(5)8;/h1-4H2;
InChIKeyCEJFNMJERVYMHB-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.93
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19879592?
The IUPAC name of CID 19879592 (CID 19879592) is not available.
What is the SMILES notation for CID 19879592?
The canonical SMILES for CID 19879592 is FN1CCCCC1(F)F.[B].
What is the InChIKey of CID 19879592?
The InChIKey is CEJFNMJERVYMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.B/c6-5(7)3-1-2-4-9(5)8;/h1-4H2;.
What are the key properties of CID 19879592?
CID 19879592 has a molecular weight of 149.93 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19879592 is sourced from PubChem (CID 19879592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).