(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride

C15H20ClFO2 — CID 161179637

IUPAC(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
SMILESCl.Fc1ccc(OC[C@@H]2CCCCO2)c2c1CCC2
InChIInChI=1S/C15H19FO2.ClH/c16-14-7-8-15(13-6-3-5-12(13)14)18-10-11-4-1-2-9-17-11;/h7-8,11H,1-6,9-10H2;1H/t11-;/m0./s1
InChIKeyZZBRPQHBRKOESQ-MERQFXBCSA-N
MW286.77 g/mol
LogP3.68
Rot. Bonds3

About (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride

(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride (PubChem CID 161179637) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
PubChem CID161179637
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
SMILESCl.Fc1ccc(OC[C@@H]2CCCCO2)c2c1CCC2
InChIInChI=1S/C15H19FO2.ClH/c16-14-7-8-15(13-6-3-5-12(13)14)18-10-11-4-1-2-9-17-11;/h7-8,11H,1-6,9-10H2;1H/t11-;/m0./s1
InChIKeyZZBRPQHBRKOESQ-MERQFXBCSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride with MolForge

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Related Compounds

5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
4-chloro-2-(oxan-2-ylmethoxy)aniline
CID 62306028
but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine
CID 67584301
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
4-bromo-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 116736435
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074354
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
CID 43826140
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride?
The IUPAC name of (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride (CID 161179637) is (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride.
What is the SMILES notation for (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride?
The canonical SMILES for (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride is Cl.Fc1ccc(OC[C@@H]2CCCCO2)c2c1CCC2.
What is the InChIKey of (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride?
The InChIKey is ZZBRPQHBRKOESQ-MERQFXBCSA-N. The full InChI is InChI=1S/C15H19FO2.ClH/c16-14-7-8-15(13-6-3-5-12(13)14)18-10-11-4-1-2-9-17-11;/h7-8,11H,1-6,9-10H2;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride?
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride has a molecular weight of 286.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride is sourced from PubChem (CID 161179637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).