[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol

C7H13F2NO2 — CID 141395737

IUPAC[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol
SMILESOC[C@H]1CN[C@@H](CC(F)F)CO1
InChIInChI=1S/C7H13F2NO2/c8-7(9)1-5-4-12-6(3-11)2-10-5/h5-7,10-11H,1-4H2/t5-,6+/m0/s1
InChIKeyBALODOUWKXJLMT-NTSWFWBYSA-N
MW181.18 g/mol
LogP-0.01
Rot. Bonds3

About [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol

[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol (PubChem CID 141395737) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol
PubChem CID141395737
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol
SMILESOC[C@H]1CN[C@@H](CC(F)F)CO1
InChIInChI=1S/C7H13F2NO2/c8-7(9)1-5-4-12-6(3-11)2-10-5/h5-7,10-11H,1-4H2/t5-,6+/m0/s1
InChIKeyBALODOUWKXJLMT-NTSWFWBYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholin-2-ylmethanol
CID 3497988
(S)-morpholin-2-ylmethanol
CID 1512575
(2R)-morpholin-2-ylmethanol hydrochloride
CID 42614735
(R)-2-Hydroxymethylmorpholine
CID 6558857
((2S,5R)-5-Methylmorpholin-2-yl)methanol hydrochloride
CID 51357959
(2S)-morpholin-2-ylmethanol hydrochloride
CID 53483542
5-Methyl-2-morpholinemethanol
CID 71756382
((2S,6R)-6-methylmorpholin-2-yl)methanol
CID 97358950
(6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 137944418
[(2S,6R)-6-(hydroxymethyl)morpholin-2-yl]methanol hydrochloride
CID 146155820
(1R)-1-((3R)-morpholin-3-yl)ethane-1,2-diol hydrochloride
CID 132371670
((2S,6S)-6-(hydroxymethyl)morpholin-2-yl)methanol hydrochloride
CID 137944797

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol (CID 141395737) is [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol is OC[C@H]1CN[C@@H](CC(F)F)CO1.
What is the InChIKey of [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol?
The InChIKey is BALODOUWKXJLMT-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-7(9)1-5-4-12-6(3-11)2-10-5/h5-7,10-11H,1-4H2/t5-,6+/m0/s1.
What are the key properties of [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol?
[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol has a molecular weight of 181.18 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 141395737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).