CID 174022080

C6H10BFO2 — CID 174022080

IUPAC—
SMILES[B]C(F)OCC(=O)C(C)C
InChIInChI=1S/C6H10BFO2/c1-4(2)5(9)3-10-6(7)8/h4,6H,3H2,1-2H3
InChIKeySWCXMCOOONJASV-UHFFFAOYSA-N
MW143.95 g/mol
LogP0.65
Rot. Bonds4

About CID 174022080

CID 174022080 (PubChem CID 174022080) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 174022080
PubChem CID174022080
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B]C(F)OCC(=O)C(C)C
InChIInChI=1S/C6H10BFO2/c1-4(2)5(9)3-10-6(7)8/h4,6H,3H2,1-2H3
InChIKeySWCXMCOOONJASV-UHFFFAOYSA-N
XLogP0.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 50.65
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 174022080?
The IUPAC name of CID 174022080 (CID 174022080) is not available.
What is the SMILES notation for CID 174022080?
The canonical SMILES for CID 174022080 is [B]C(F)OCC(=O)C(C)C.
What is the InChIKey of CID 174022080?
The InChIKey is SWCXMCOOONJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-4(2)5(9)3-10-6(7)8/h4,6H,3H2,1-2H3.
What are the key properties of CID 174022080?
CID 174022080 has a molecular weight of 143.95 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174022080 is sourced from PubChem (CID 174022080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).