2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol

C15H20F3NO2 — CID 62974389

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC1CN(CC(O)c2cccc(C(F)(F)F)c2)CCCO1
InChIInChI=1S/C15H20F3NO2/c1-11-9-19(6-3-7-21-11)10-14(20)12-4-2-5-13(8-12)15(16,17)18/h2,4-5,8,11,14,20H,3,6-7,9-10H2,1H3
InChIKeyLOAKTOGSHGCPRP-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 62974389) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID62974389
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC1CN(CC(O)c2cccc(C(F)(F)F)c2)CCCO1
InChIInChI=1S/C15H20F3NO2/c1-11-9-19(6-3-7-21-11)10-14(20)12-4-2-5-13(8-12)15(16,17)18/h2,4-5,8,11,14,20H,3,6-7,9-10H2,1H3
InChIKeyLOAKTOGSHGCPRP-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62986559
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103936755
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 66371942
(1S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 51963937
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
(3aS,6aR)-2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818592
(2R)-1,1,1-trifluoro-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129412710
(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 95152095
(3S)-N-cyclohexyl-1-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 95152094
tert-butyl (2R)-4-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine-1-carboxylate
CID 178149853
1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62986854

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 62974389) is 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol is CC1CN(CC(O)c2cccc(C(F)(F)F)c2)CCCO1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LOAKTOGSHGCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-11-9-19(6-3-7-21-11)10-14(20)12-4-2-5-13(8-12)15(16,17)18/h2,4-5,8,11,14,20H,3,6-7,9-10H2,1H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 303.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62974389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).