2-chloro-1,1,1,2,3,3-hexafluoropropane

C3HClF6 — CID 12829395

IUPAC2-chloro-1,1,1,2,3,3-hexafluoropropane
SMILESFC(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C3HClF6/c4-2(7,1(5)6)3(8,9)10/h1H
InChIKeySCDLWHGUKGDYQD-UHFFFAOYSA-N
MW186.48 g/mol
LogP2.72
Rot. Bonds1

About 2-chloro-1,1,1,2,3,3-hexafluoropropane

2-chloro-1,1,1,2,3,3-hexafluoropropane (PubChem CID 12829395) has the molecular formula C3HClF6 and a molecular weight of 186.48 g/mol. Its IUPAC name is 2-chloro-1,1,1,2,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-chloro-1,1,1,2,3,3-hexafluoropropane
PubChem CID12829395
Molecular FormulaC3HClF6
Molecular Weight186.48 g/mol
Exact Mass185.97
IUPAC Name2-chloro-1,1,1,2,3,3-hexafluoropropane
SMILESFC(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C3HClF6/c4-2(7,1(5)6)3(8,9)10/h1H
InChIKeySCDLWHGUKGDYQD-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.48
LogP ≤ 52.72
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 2-chloro-1,1,1,2,3,3-hexafluoropropane?
The IUPAC name of 2-chloro-1,1,1,2,3,3-hexafluoropropane (CID 12829395) is 2-chloro-1,1,1,2,3,3-hexafluoropropane.
What is the SMILES notation for 2-chloro-1,1,1,2,3,3-hexafluoropropane?
The canonical SMILES for 2-chloro-1,1,1,2,3,3-hexafluoropropane is FC(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,2,3,3-hexafluoropropane?
The InChIKey is SCDLWHGUKGDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF6/c4-2(7,1(5)6)3(8,9)10/h1H.
What are the key properties of 2-chloro-1,1,1,2,3,3-hexafluoropropane?
2-chloro-1,1,1,2,3,3-hexafluoropropane has a molecular weight of 186.48 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,2,3,3-hexafluoropropane is sourced from PubChem (CID 12829395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).