1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol

C15H15F6NO — CID 14249337

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol
SMILESCC1=CC(C)(C)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc21
InChIInChI=1S/C15H15F6NO/c1-8-7-12(2,3)22-11-5-4-9(6-10(8)11)13(23,14(16,17)18)15(19,20)21/h4-7,22-23H,1-3H3
InChIKeyNWZLXPLQLLKOAL-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.61
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol (PubChem CID 14249337) has the molecular formula C15H15F6NO and a molecular weight of 339.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol
PubChem CID14249337
Molecular FormulaC15H15F6NO
Molecular Weight339.28 g/mol
Exact Mass339.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol
SMILESCC1=CC(C)(C)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc21
InChIInChI=1S/C15H15F6NO/c1-8-7-12(2,3)22-11-5-4-9(6-10(8)11)13(23,14(16,17)18)15(19,20)21/h4-7,22-23H,1-3H3
InChIKeyNWZLXPLQLLKOAL-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol with MolForge

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Related Compounds

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide
CID 2323445
2-(4-(Benzyl(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11574384
2-(4-(Benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11582802
2-(4-(Ethyl(phenethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11639715
1,1,1,3,3,3-Hexafluoro-2-{4-[methyl(phenylmethyl)amino]phenyl}-2-propanol
CID 16049406
2-{4-[Benzyl(butyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 25107513
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
CID 447911
2,2'-[4-(Methylamino)-1,3-phenylene]bis(1,1,1,3,3,3-hexafluoro-2-propanol)
CID 2969833
1,1,1,3,3,3-Hexafluoro-2-(4-(methylamino)phenyl)propan-2-OL
CID 805015
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl]acetamide
CID 872658

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol (CID 14249337) is 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol is CC1=CC(C)(C)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc21.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol?
The InChIKey is NWZLXPLQLLKOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6NO/c1-8-7-12(2,3)22-11-5-4-9(6-10(8)11)13(23,14(16,17)18)15(19,20)21/h4-7,22-23H,1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol has a molecular weight of 339.28 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,2,4-trimethyl-1H-quinolin-6-yl)propan-2-ol is sourced from PubChem (CID 14249337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).