1-fluoropentane;hydrofluoride

C5H12F2 — CID 159001340

IUPAC1-fluoropentane;hydrofluoride
SMILESCCCCCF.F
InChIInChI=1S/C5H11F.FH/c1-2-3-4-5-6;/h2-5H2,1H3;1H
InChIKeySXOFQQGCXVDXIN-UHFFFAOYSA-N
MW110.15 g/mol
LogP2.30
Rot. Bonds3

About 1-fluoropentane;hydrofluoride

1-fluoropentane;hydrofluoride (PubChem CID 159001340) has the molecular formula C5H12F2 and a molecular weight of 110.15 g/mol. Its IUPAC name is 1-fluoropentane;hydrofluoride.

Molecular Properties

Compound Name1-fluoropentane;hydrofluoride
PubChem CID159001340
Molecular FormulaC5H12F2
Molecular Weight110.15 g/mol
Exact Mass110.09
IUPAC Name1-fluoropentane;hydrofluoride
SMILESCCCCCF.F
InChIInChI=1S/C5H11F.FH/c1-2-3-4-5-6;/h2-5H2,1H3;1H
InChIKeySXOFQQGCXVDXIN-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.15
LogP ≤ 52.30
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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Related Compounds

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azane;1-fluorobutane
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1-fluorobutane;fluoroethane;methane
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1-(4-fluorobutylsulfanyl)undecane
CID 54210142
ethane;1-fluoro-15-pentoxypentadecane
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1-fluoro-7-methylpentacosane
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Frequently Asked Questions

What is the IUPAC name of 1-fluoropentane;hydrofluoride?
The IUPAC name of 1-fluoropentane;hydrofluoride (CID 159001340) is 1-fluoropentane;hydrofluoride.
What is the SMILES notation for 1-fluoropentane;hydrofluoride?
The canonical SMILES for 1-fluoropentane;hydrofluoride is CCCCCF.F.
What is the InChIKey of 1-fluoropentane;hydrofluoride?
The InChIKey is SXOFQQGCXVDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F.FH/c1-2-3-4-5-6;/h2-5H2,1H3;1H.
What are the key properties of 1-fluoropentane;hydrofluoride?
1-fluoropentane;hydrofluoride has a molecular weight of 110.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentane;hydrofluoride is sourced from PubChem (CID 159001340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).