4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane

C8H10Cl2F6O — CID 77134709

IUPAC4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
SMILESFCC(F)(F)C(CCl)OC(CCl)C(F)(F)CF
InChIInChI=1S/C8H10Cl2F6O/c9-1-5(7(13,14)3-11)17-6(2-10)8(15,16)4-12/h5-6H,1-4H2
InChIKeyGXPPLUDYDXZTMA-UHFFFAOYSA-N
MW307.06 g/mol
LogP3.43
Rot. Bonds8

About 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane

4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane (PubChem CID 77134709) has the molecular formula C8H10Cl2F6O and a molecular weight of 307.06 g/mol. Its IUPAC name is 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane.

Molecular Properties

Compound Name4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
PubChem CID77134709
Molecular FormulaC8H10Cl2F6O
Molecular Weight307.06 g/mol
Exact Mass306.00
IUPAC Name4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
SMILESFCC(F)(F)C(CCl)OC(CCl)C(F)(F)CF
InChIInChI=1S/C8H10Cl2F6O/c9-1-5(7(13,14)3-11)17-6(2-10)8(15,16)4-12/h5-6H,1-4H2
InChIKeyGXPPLUDYDXZTMA-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 53.43
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 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane?
The IUPAC name of 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane (CID 77134709) is 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane.
What is the SMILES notation for 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane?
The canonical SMILES for 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane is FCC(F)(F)C(CCl)OC(CCl)C(F)(F)CF.
What is the InChIKey of 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane?
The InChIKey is GXPPLUDYDXZTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2F6O/c9-1-5(7(13,14)3-11)17-6(2-10)8(15,16)4-12/h5-6H,1-4H2.
What are the key properties of 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane?
4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane has a molecular weight of 307.06 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane is sourced from PubChem (CID 77134709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).