5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane

C6H6ClF7 — CID 59024458

IUPAC5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(CCCCl)C(F)(F)F
InChIInChI=1S/C6H6ClF7/c7-3-1-2-4(8,5(9,10)11)6(12,13)14/h1-3H2
InChIKeyHCXLXUIDQHLJFA-UHFFFAOYSA-N
MW246.55 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane

5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane (PubChem CID 59024458) has the molecular formula C6H6ClF7 and a molecular weight of 246.55 g/mol. Its IUPAC name is 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane
PubChem CID59024458
Molecular FormulaC6H6ClF7
Molecular Weight246.55 g/mol
Exact Mass246.00
IUPAC Name5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(CCCCl)C(F)(F)F
InChIInChI=1S/C6H6ClF7/c7-3-1-2-4(8,5(9,10)11)6(12,13)14/h1-3H2
InChIKeyHCXLXUIDQHLJFA-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane?
The IUPAC name of 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane (CID 59024458) is 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane.
What is the SMILES notation for 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane?
The canonical SMILES for 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane is FC(F)(F)C(F)(CCCCl)C(F)(F)F.
What is the InChIKey of 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane?
The InChIKey is HCXLXUIDQHLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF7/c7-3-1-2-4(8,5(9,10)11)6(12,13)14/h1-3H2.
What are the key properties of 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane?
5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane has a molecular weight of 246.55 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,1,2-tetrafluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 59024458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).