CID 173495629

C4H6BF — CID 173495629

IUPAC—
SMILES[B]C1CC1(C)F
InChIInChI=1S/C4H6BF/c1-4(6)2-3(4)5/h3H,2H2,1H3
InChIKeyCOMWIRBMVCBAKJ-UHFFFAOYSA-N
MW83.90 g/mol
LogP1.08
Rot. Bonds

About CID 173495629

CID 173495629 (PubChem CID 173495629) has the molecular formula C4H6BF and a molecular weight of 83.90 g/mol.

Molecular Properties

Compound NameCID 173495629
PubChem CID173495629
Molecular FormulaC4H6BF
Molecular Weight83.90 g/mol
Exact Mass84.05
IUPAC Name—
SMILES[B]C1CC1(C)F
InChIInChI=1S/C4H6BF/c1-4(6)2-3(4)5/h3H,2H2,1H3
InChIKeyCOMWIRBMVCBAKJ-UHFFFAOYSA-N
XLogP1.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.90
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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dimethylsilane;1,1,2-trifluorocyclopropane
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ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane
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Frequently Asked Questions

What is the IUPAC name of CID 173495629?
The IUPAC name of CID 173495629 (CID 173495629) is not available.
What is the SMILES notation for CID 173495629?
The canonical SMILES for CID 173495629 is [B]C1CC1(C)F.
What is the InChIKey of CID 173495629?
The InChIKey is COMWIRBMVCBAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BF/c1-4(6)2-3(4)5/h3H,2H2,1H3.
What are the key properties of CID 173495629?
CID 173495629 has a molecular weight of 83.90 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173495629 is sourced from PubChem (CID 173495629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).