1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene

C15H6F10 — CID 90465462

IUPAC1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(C(c2cc(F)cc(F)c2)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C15H6F10/c16-9-1-7(2-10(17)5-9)13(14(20,21)22,15(23,24)25)8-3-11(18)6-12(19)4-8/h1-6H
InChIKeyCXTLTQZTHBXGQO-UHFFFAOYSA-N
MW376.19 g/mol
LogP5.65
Rot. Bonds2

About 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene

1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene (PubChem CID 90465462) has the molecular formula C15H6F10 and a molecular weight of 376.19 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene
PubChem CID90465462
Molecular FormulaC15H6F10
Molecular Weight376.19 g/mol
Exact Mass376.03
IUPAC Name1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(C(c2cc(F)cc(F)c2)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C15H6F10/c16-9-1-7(2-10(17)5-9)13(14(20,21)22,15(23,24)25)8-3-11(18)6-12(19)4-8/h1-6H
InChIKeyCXTLTQZTHBXGQO-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.19
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene?
The IUPAC name of 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene (CID 90465462) is 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene is Fc1cc(F)cc(C(c2cc(F)cc(F)c2)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene?
The InChIKey is CXTLTQZTHBXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F10/c16-9-1-7(2-10(17)5-9)13(14(20,21)22,15(23,24)25)8-3-11(18)6-12(19)4-8/h1-6H.
What are the key properties of 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene?
1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene has a molecular weight of 376.19 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3,5-difluorobenzene is sourced from PubChem (CID 90465462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).