2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane

C5ClF11 — CID 13300296

IUPAC2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C5ClF11/c6-1(7,4(12,13)14)2(8,9)3(10,11)5(15,16)17
InChIKeyJTMBKTHAZFWVAJ-UHFFFAOYSA-N
MW304.49 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane

2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane (PubChem CID 13300296) has the molecular formula C5ClF11 and a molecular weight of 304.49 g/mol. Its IUPAC name is 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane.

Molecular Properties

Compound Name2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
PubChem CID13300296
Molecular FormulaC5ClF11
Molecular Weight304.49 g/mol
Exact Mass303.95
IUPAC Name2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C5ClF11/c6-1(7,4(12,13)14)2(8,9)3(10,11)5(15,16)17
InChIKeyJTMBKTHAZFWVAJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
The IUPAC name of 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane (CID 13300296) is 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane.
What is the SMILES notation for 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
The canonical SMILES for 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane is FC(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
The InChIKey is JTMBKTHAZFWVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF11/c6-1(7,4(12,13)14)2(8,9)3(10,11)5(15,16)17.
What are the key properties of 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane?
2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane has a molecular weight of 304.49 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane is sourced from PubChem (CID 13300296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).