2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol

C14H20FNO2 — CID 124978535

IUPAC2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol
SMILESOCCN1CCOC[C@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO2/c15-14-3-1-2-12(9-14)8-13-10-16(4-6-17)5-7-18-11-13/h1-3,9,13,17H,4-8,10-11H2/t13-/m1/s1
InChIKeyLUOCDGBZAUMKJC-CYBMUJFWSA-N
MW253.32 g/mol
LogP1.31
Rot. Bonds4

About 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol

2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol (PubChem CID 124978535) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol
PubChem CID124978535
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol
SMILESOCCN1CCOC[C@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO2/c15-14-3-1-2-12(9-14)8-13-10-16(4-6-17)5-7-18-11-13/h1-3,9,13,17H,4-8,10-11H2/t13-/m1/s1
InChIKeyLUOCDGBZAUMKJC-CYBMUJFWSA-N
XLogP1.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6S)-6-benzyl-1,4-oxazepan-4-yl]acetamide
CID 124942878
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
4-(2-phenylethyl)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
CID 127252378
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
2-(3-fluorophenyl)-1-[4-[2-(oxolan-3-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 137345506
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
[3-[(3-fluorophenyl)methoxy]phenyl]-[(6R)-6-(isoquinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129457418
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 155983978
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol?
The IUPAC name of 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol (CID 124978535) is 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol.
What is the SMILES notation for 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol?
The canonical SMILES for 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol is OCCN1CCOC[C@H](Cc2cccc(F)c2)C1.
What is the InChIKey of 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol?
The InChIKey is LUOCDGBZAUMKJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-14-3-1-2-12(9-14)8-13-10-16(4-6-17)5-7-18-11-13/h1-3,9,13,17H,4-8,10-11H2/t13-/m1/s1.
What are the key properties of 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol?
2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-[(3-fluorophenyl)methyl]-1,4-oxazepan-4-yl]ethanol is sourced from PubChem (CID 124978535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).