1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol

C14H9F12NO2 — CID 13429009

IUPAC1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol
SMILESOC(c1cc2c(c(C(O)(C(F)(F)F)C(F)(F)F)c1)NCC2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H9F12NO2/c15-11(16,17)9(28,12(18,19)20)6-3-5-1-2-27-8(5)7(4-6)10(29,13(21,22)23)14(24,25)26/h3-4,27-29H,1-2H2
InChIKeyVFNOKICMYLWUQR-UHFFFAOYSA-N
MW451.21 g/mol
LogP4.28
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol (PubChem CID 13429009) has the molecular formula C14H9F12NO2 and a molecular weight of 451.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol
PubChem CID13429009
Molecular FormulaC14H9F12NO2
Molecular Weight451.21 g/mol
Exact Mass451.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol
SMILESOC(c1cc2c(c(C(O)(C(F)(F)F)C(F)(F)F)c1)NCC2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H9F12NO2/c15-11(16,17)9(28,12(18,19)20)6-3-5-1-2-27-8(5)7(4-6)10(29,13(21,22)23)14(24,25)26/h3-4,27-29H,1-2H2
InChIKeyVFNOKICMYLWUQR-UHFFFAOYSA-N
XLogP4.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.21
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol (CID 13429009) is 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol is OC(c1cc2c(c(C(O)(C(F)(F)F)C(F)(F)F)c1)NCC2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol?
The InChIKey is VFNOKICMYLWUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F12NO2/c15-11(16,17)9(28,12(18,19)20)6-3-5-1-2-27-8(5)7(4-6)10(29,13(21,22)23)14(24,25)26/h3-4,27-29H,1-2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol has a molecular weight of 451.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1H-indol-5-yl]propan-2-ol is sourced from PubChem (CID 13429009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).