hexane;hydrofluoride

C6H15F — CID 88612718

IUPAChexane;hydrofluoride
SMILESCCCCCC.F
InChIInChI=1S/C6H14.FH/c1-3-5-6-4-2;/h3-6H2,1-2H3;1H
InChIKeyVHWYIDXLHLULSY-UHFFFAOYSA-N
MW106.18 g/mol
LogP2.74
Rot. Bonds3

About hexane;hydrofluoride

hexane;hydrofluoride (PubChem CID 88612718) has the molecular formula C6H15F and a molecular weight of 106.18 g/mol. Its IUPAC name is hexane;hydrofluoride.

Molecular Properties

Compound Namehexane;hydrofluoride
PubChem CID88612718
Molecular FormulaC6H15F
Molecular Weight106.18 g/mol
Exact Mass106.12
IUPAC Namehexane;hydrofluoride
SMILESCCCCCC.F
InChIInChI=1S/C6H14.FH/c1-3-5-6-4-2;/h3-6H2,1-2H3;1H
InChIKeyVHWYIDXLHLULSY-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.18
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexane;hydrofluoride?
The IUPAC name of hexane;hydrofluoride (CID 88612718) is hexane;hydrofluoride.
What is the SMILES notation for hexane;hydrofluoride?
The canonical SMILES for hexane;hydrofluoride is CCCCCC.F.
What is the InChIKey of hexane;hydrofluoride?
The InChIKey is VHWYIDXLHLULSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.FH/c1-3-5-6-4-2;/h3-6H2,1-2H3;1H.
What are the key properties of hexane;hydrofluoride?
hexane;hydrofluoride has a molecular weight of 106.18 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;hydrofluoride is sourced from PubChem (CID 88612718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).