5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol

C17H15F6NO — CID 59729421

IUPAC5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)9-1-2-15(25)12-5-8-14(24-10-12)11-3-6-13(7-4-11)17(21,22)23/h3-8,10,15,25H,1-2,9H2
InChIKeyJZPDJQWNTKLOPP-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.53
Rot. Bonds5

About 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol

5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol (PubChem CID 59729421) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol
PubChem CID59729421
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)9-1-2-15(25)12-5-8-14(24-10-12)11-3-6-13(7-4-11)17(21,22)23/h3-8,10,15,25H,1-2,9H2
InChIKeyJZPDJQWNTKLOPP-UHFFFAOYSA-N
XLogP5.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol (CID 59729421) is 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol is OC(CCCC(F)(F)F)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
The InChIKey is JZPDJQWNTKLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c18-16(19,20)9-1-2-15(25)12-5-8-14(24-10-12)11-3-6-13(7-4-11)17(21,22)23/h3-8,10,15,25H,1-2,9H2.
What are the key properties of 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol has a molecular weight of 363.30 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol is sourced from PubChem (CID 59729421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).