1,1,5-trichloro-1-fluoropentane

C5H8Cl3F — CID 559210

IUPAC1,1,5-trichloro-1-fluoropentane
SMILESFC(Cl)(Cl)CCCCCl
InChIInChI=1S/C5H8Cl3F/c6-4-2-1-3-5(7,8)9/h1-4H2
InChIKeyGOKKYNNQRQLDLZ-UHFFFAOYSA-N
MW193.48 g/mol
LogP3.50
Rot. Bonds4

About 1,1,5-trichloro-1-fluoropentane

1,1,5-trichloro-1-fluoropentane (PubChem CID 559210) has the molecular formula C5H8Cl3F and a molecular weight of 193.48 g/mol. Its IUPAC name is 1,1,5-trichloro-1-fluoropentane.

Molecular Properties

Compound Name1,1,5-trichloro-1-fluoropentane
PubChem CID559210
Molecular FormulaC5H8Cl3F
Molecular Weight193.48 g/mol
Exact Mass191.97
IUPAC Name1,1,5-trichloro-1-fluoropentane
SMILESFC(Cl)(Cl)CCCCCl
InChIInChI=1S/C5H8Cl3F/c6-4-2-1-3-5(7,8)9/h1-4H2
InChIKeyGOKKYNNQRQLDLZ-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,5-trichloro-1-fluoropentane?
The IUPAC name of 1,1,5-trichloro-1-fluoropentane (CID 559210) is 1,1,5-trichloro-1-fluoropentane.
What is the SMILES notation for 1,1,5-trichloro-1-fluoropentane?
The canonical SMILES for 1,1,5-trichloro-1-fluoropentane is FC(Cl)(Cl)CCCCCl.
What is the InChIKey of 1,1,5-trichloro-1-fluoropentane?
The InChIKey is GOKKYNNQRQLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3F/c6-4-2-1-3-5(7,8)9/h1-4H2.
What are the key properties of 1,1,5-trichloro-1-fluoropentane?
1,1,5-trichloro-1-fluoropentane has a molecular weight of 193.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trichloro-1-fluoropentane is sourced from PubChem (CID 559210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).