2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane

C10H6F16O — CID 18798724

IUPAC2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
SMILESFC(F)C(F)(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-3(12)7(19,9(21,22)23)5(15,16)1-27-2-6(17,18)8(20,4(13)14)10(24,25)26/h3-4H,1-2H2
InChIKeyPTFOAFOPCVHEMI-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.34
Rot. Bonds8

About 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane

2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane (PubChem CID 18798724) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
PubChem CID18798724
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
SMILESFC(F)C(F)(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-3(12)7(19,9(21,22)23)5(15,16)1-27-2-6(17,18)8(20,4(13)14)10(24,25)26/h3-4H,1-2H2
InChIKeyPTFOAFOPCVHEMI-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane?
The IUPAC name of 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane (CID 18798724) is 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane.
What is the SMILES notation for 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane?
The canonical SMILES for 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane is FC(F)C(F)(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane?
The InChIKey is PTFOAFOPCVHEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c11-3(12)7(19,9(21,22)23)5(15,16)1-27-2-6(17,18)8(20,4(13)14)10(24,25)26/h3-4H,1-2H2.
What are the key properties of 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane?
2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane has a molecular weight of 446.13 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane is sourced from PubChem (CID 18798724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).