CID 87182663

C5H11BF — CID 87182663

IUPAC—
SMILESCCCCC[B]F
InChIInChI=1S/C5H11BF/c1-2-3-4-5-6-7/h2-5H2,1H3
InChIKeyNYMGEPDMOCHSCF-UHFFFAOYSA-N
MW100.95 g/mol
LogP2.18
Rot. Bonds4

About CID 87182663

CID 87182663 (PubChem CID 87182663) has the molecular formula C5H11BF and a molecular weight of 100.95 g/mol.

Molecular Properties

Compound NameCID 87182663
PubChem CID87182663
Molecular FormulaC5H11BF
Molecular Weight100.95 g/mol
Exact Mass101.09
IUPAC Name—
SMILESCCCCC[B]F
InChIInChI=1S/C5H11BF/c1-2-3-4-5-6-7/h2-5H2,1H3
InChIKeyNYMGEPDMOCHSCF-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.95
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Di-pentylborane
CID 13258648
CID 173449434
CID 173449434
CID 173449370
CID 173449370
triacontane
CID 12535
dictane
CID 19848341
hexane;tetrahydrochloride
CID 18520801
henoctacontane
CID 22086342
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of CID 87182663?
The IUPAC name of CID 87182663 (CID 87182663) is not available.
What is the SMILES notation for CID 87182663?
The canonical SMILES for CID 87182663 is CCCCC[B]F.
What is the InChIKey of CID 87182663?
The InChIKey is NYMGEPDMOCHSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF/c1-2-3-4-5-6-7/h2-5H2,1H3.
What are the key properties of CID 87182663?
CID 87182663 has a molecular weight of 100.95 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87182663 is sourced from PubChem (CID 87182663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).