1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol

C13H13F6NO — CID 23346087

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
SMILESCC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1
InChIInChI=1S/C13H13F6NO/c1-7-2-3-8-6-9(4-5-10(8)20-7)11(21,12(14,15)16)13(17,18)19/h4-7,20-21H,2-3H2,1H3
InChIKeyOBEBKSHKNGMLNB-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.75
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol (PubChem CID 23346087) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
PubChem CID23346087
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
SMILESCC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1
InChIInChI=1S/C13H13F6NO/c1-7-2-3-8-6-9(4-5-10(8)20-7)11(21,12(14,15)16)13(17,18)19/h4-7,20-21H,2-3H2,1H3
InChIKeyOBEBKSHKNGMLNB-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol (CID 23346087) is 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol is CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol?
The InChIKey is OBEBKSHKNGMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c1-7-2-3-8-6-9(4-5-10(8)20-7)11(21,12(14,15)16)13(17,18)19/h4-7,20-21H,2-3H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol has a molecular weight of 313.24 g/mol, XLogP of 3.75, 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-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol is sourced from PubChem (CID 23346087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).