1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol

C18H17F6NO2 — CID 87198314

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol
SMILESCCCc1nc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C18H17F6NO2/c1-2-6-13-14(27-11-12-7-4-3-5-8-12)9-10-15(25-13)16(26,17(19,20)21)18(22,23)24/h3-5,7-10,26H,2,6,11H2,1H3
InChIKeyODGPUKFLASSYLA-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.93
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol (PubChem CID 87198314) has the molecular formula C18H17F6NO2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol
PubChem CID87198314
Molecular FormulaC18H17F6NO2
Molecular Weight393.33 g/mol
Exact Mass393.12
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol
SMILESCCCc1nc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C18H17F6NO2/c1-2-6-13-14(27-11-12-7-4-3-5-8-12)9-10-15(25-13)16(26,17(19,20)21)18(22,23)24/h3-5,7-10,26H,2,6,11H2,1H3
InChIKeyODGPUKFLASSYLA-UHFFFAOYSA-N
XLogP4.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
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-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol (CID 87198314) is 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol is CCCc1nc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol?
The InChIKey is ODGPUKFLASSYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO2/c1-2-6-13-14(27-11-12-7-4-3-5-8-12)9-10-15(25-13)16(26,17(19,20)21)18(22,23)24/h3-5,7-10,26H,2,6,11H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol has a molecular weight of 393.33 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 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-(5-phenylmethoxy-6-propyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 87198314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).