2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane

C4HCl5F4 — CID 87308636

IUPAC2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
SMILESFC(F)(F)C(F)(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C4HCl5F4/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H
InChIKeyAOQWQCDXNRGLPE-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.43
Rot. Bonds2

About 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane

2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane (PubChem CID 87308636) has the molecular formula C4HCl5F4 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane.

Molecular Properties

Compound Name2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
PubChem CID87308636
Molecular FormulaC4HCl5F4
Molecular Weight302.31 g/mol
Exact Mass299.85
IUPAC Name2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
SMILESFC(F)(F)C(F)(Cl)C(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C4HCl5F4/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H
InChIKeyAOQWQCDXNRGLPE-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.43
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 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane?
The IUPAC name of 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane (CID 87308636) is 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane.
What is the SMILES notation for 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane?
The canonical SMILES for 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane is FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane?
The InChIKey is AOQWQCDXNRGLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl5F4/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H.
What are the key properties of 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane?
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane has a molecular weight of 302.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane is sourced from PubChem (CID 87308636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).