2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane

C4H3ClF6O — CID 10130621

IUPAC2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(OCCl)C(F)(F)F
InChIInChI=1S/C4H3ClF6O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKeyHHYFUCXZHKDNPT-UHFFFAOYSA-N
MW216.51 g/mol
LogP2.69
Rot. Bonds2

About 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane

2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane (PubChem CID 10130621) has the molecular formula C4H3ClF6O and a molecular weight of 216.51 g/mol. Its IUPAC name is 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane
PubChem CID10130621
Molecular FormulaC4H3ClF6O
Molecular Weight216.51 g/mol
Exact Mass215.98
IUPAC Name2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(OCCl)C(F)(F)F
InChIInChI=1S/C4H3ClF6O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKeyHHYFUCXZHKDNPT-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane (CID 10130621) is 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane is FC(F)(F)C(OCCl)C(F)(F)F.
What is the InChIKey of 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is HHYFUCXZHKDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF6O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2.
What are the key properties of 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane?
2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 216.51 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 10130621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).