1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane

C6H6Cl2F6O — CID 57245569

IUPAC1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane
SMILESFC(Cl)C(F)(F)COCC(F)(F)C(F)Cl
InChIInChI=1S/C6H6Cl2F6O/c7-3(9)5(11,12)1-15-2-6(13,14)4(8)10/h3-4H,1-2H2
InChIKeyVGALRTWXBWUFRZ-UHFFFAOYSA-N
MW279.01 g/mol
LogP3.34
Rot. Bonds6

About 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane

1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane (PubChem CID 57245569) has the molecular formula C6H6Cl2F6O and a molecular weight of 279.01 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane
PubChem CID57245569
Molecular FormulaC6H6Cl2F6O
Molecular Weight279.01 g/mol
Exact Mass277.97
IUPAC Name1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane
SMILESFC(Cl)C(F)(F)COCC(F)(F)C(F)Cl
InChIInChI=1S/C6H6Cl2F6O/c7-3(9)5(11,12)1-15-2-6(13,14)4(8)10/h3-4H,1-2H2
InChIKeyVGALRTWXBWUFRZ-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.01
LogP ≤ 53.34
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 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane?
The IUPAC name of 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane (CID 57245569) is 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane.
What is the SMILES notation for 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane?
The canonical SMILES for 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane is FC(Cl)C(F)(F)COCC(F)(F)C(F)Cl.
What is the InChIKey of 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane?
The InChIKey is VGALRTWXBWUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2F6O/c7-3(9)5(11,12)1-15-2-6(13,14)4(8)10/h3-4H,1-2H2.
What are the key properties of 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane?
1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane has a molecular weight of 279.01 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2,2,3-trifluoropropoxy)-1,2,2-trifluoropropane is sourced from PubChem (CID 57245569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).