6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol

C17H24F3NO2 — CID 142775666

IUPAC6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol
SMILESCC(O)CCCCC1(F)OCCN(Cc2ccccc2)C1(F)F
InChIInChI=1S/C17H24F3NO2/c1-14(22)7-5-6-10-16(18)17(19,20)21(11-12-23-16)13-15-8-3-2-4-9-15/h2-4,8-9,14,22H,5-7,10-13H2,1H3
InChIKeyJRBMZUXYYLQQNV-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.72
Rot. Bonds7

About 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol

6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol (PubChem CID 142775666) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol.

Molecular Properties

Compound Name6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol
PubChem CID142775666
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol
SMILESCC(O)CCCCC1(F)OCCN(Cc2ccccc2)C1(F)F
InChIInChI=1S/C17H24F3NO2/c1-14(22)7-5-6-10-16(18)17(19,20)21(11-12-23-16)13-15-8-3-2-4-9-15/h2-4,8-9,14,22H,5-7,10-13H2,1H3
InChIKeyJRBMZUXYYLQQNV-UHFFFAOYSA-N
XLogP3.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
(4-Benzyl-3-methylmorpholin-3-yl)methanol
CID 22342862
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
4-Morpholineethanol, alpha-(2,2-diphenylethyl)-
CID 120874
(S)-1-Benzyl-3-hydroxypiperidine
CID 693762
1-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-ol
CID 3678809
4-[(2,6-Difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737725
4-[(2-Methylphenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737772
2-Morpholin-4-yl-2-phenylethanol
CID 10899797
4-[4-(Morpholin-4-ylmethyl)phenyl]cyclohexan-1-ol
CID 21843690

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol?
The IUPAC name of 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol (CID 142775666) is 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol.
What is the SMILES notation for 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol?
The canonical SMILES for 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol is CC(O)CCCCC1(F)OCCN(Cc2ccccc2)C1(F)F.
What is the InChIKey of 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol?
The InChIKey is JRBMZUXYYLQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c1-14(22)7-5-6-10-16(18)17(19,20)21(11-12-23-16)13-15-8-3-2-4-9-15/h2-4,8-9,14,22H,5-7,10-13H2,1H3.
What are the key properties of 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol?
6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol has a molecular weight of 331.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzyl-2,3,3-trifluoromorpholin-2-yl)hexan-2-ol is sourced from PubChem (CID 142775666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).