5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine

C18H17F6NO — CID 88555993

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine
SMILESCCCOc1ccc(C(c2ccc(C)nc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H17F6NO/c1-3-10-26-15-8-6-13(7-9-15)16(17(19,20)21,18(22,23)24)14-5-4-12(2)25-11-14/h4-9,11H,3,10H2,1-2H3
InChIKeyXRHINSSDINHUEC-UHFFFAOYSA-N
MW377.33 g/mol
LogP5.59
Rot. Bonds5

About 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine

5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine (PubChem CID 88555993) has the molecular formula C18H17F6NO and a molecular weight of 377.33 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine
PubChem CID88555993
Molecular FormulaC18H17F6NO
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine
SMILESCCCOc1ccc(C(c2ccc(C)nc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H17F6NO/c1-3-10-26-15-8-6-13(7-9-15)16(17(19,20)21,18(22,23)24)14-5-4-12(2)25-11-14/h4-9,11H,3,10H2,1-2H3
InChIKeyXRHINSSDINHUEC-UHFFFAOYSA-N
XLogP5.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
CID 14533806
5-butoxy-2-methylpyridine
CID 13154052
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62584388
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
CID 112566600
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619

Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine (CID 88555993) is 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine is CCCOc1ccc(C(c2ccc(C)nc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine?
The InChIKey is XRHINSSDINHUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO/c1-3-10-26-15-8-6-13(7-9-15)16(17(19,20)21,18(22,23)24)14-5-4-12(2)25-11-14/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine?
5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine has a molecular weight of 377.33 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine is sourced from PubChem (CID 88555993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).