CID 150187943

C9H10BFO — CID 150187943

IUPAC—
SMILES[B]c1cc(F)cc(OC(C)C)c1
InChIInChI=1S/C9H10BFO/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKeyFMVDGZJEMHYGAA-UHFFFAOYSA-N
MW163.99 g/mol
LogP1.41
Rot. Bonds2

About CID 150187943

CID 150187943 (PubChem CID 150187943) has the molecular formula C9H10BFO and a molecular weight of 163.99 g/mol.

Molecular Properties

Compound NameCID 150187943
PubChem CID150187943
Molecular FormulaC9H10BFO
Molecular Weight163.99 g/mol
Exact Mass164.08
IUPAC Name—
SMILES[B]c1cc(F)cc(OC(C)C)c1
InChIInChI=1S/C9H10BFO/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3
InChIKeyFMVDGZJEMHYGAA-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-(3,5-difluorophenoxy)pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 150187943?
The IUPAC name of CID 150187943 (CID 150187943) is not available.
What is the SMILES notation for CID 150187943?
The canonical SMILES for CID 150187943 is [B]c1cc(F)cc(OC(C)C)c1.
What is the InChIKey of CID 150187943?
The InChIKey is FMVDGZJEMHYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BFO/c1-6(2)12-9-4-7(10)3-8(11)5-9/h3-6H,1-2H3.
What are the key properties of CID 150187943?
CID 150187943 has a molecular weight of 163.99 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150187943 is sourced from PubChem (CID 150187943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).