[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol

C15H21F2NO2 — CID 114779852

IUPAC[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CC(F)(F)c2ccccc2)CC(CO)O1
InChIInChI=1S/C15H21F2NO2/c1-14(2)10-18(8-13(9-19)20-14)11-15(16,17)12-6-4-3-5-7-12/h3-7,13,19H,8-11H2,1-2H3
InChIKeyOHSAMIRVUCTHQO-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.25
Rot. Bonds4

About [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779852) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779852
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CC(F)(F)c2ccccc2)CC(CO)O1
InChIInChI=1S/C15H21F2NO2/c1-14(2)10-18(8-13(9-19)20-14)11-15(16,17)12-6-4-3-5-7-12/h3-7,13,19H,8-11H2,1-2H3
InChIKeyOHSAMIRVUCTHQO-UHFFFAOYSA-N
XLogP2.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
CID 16807157
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
3-(4-Benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 3811822
(4-Benzyl-6,6-dimethylmorpholin-2-YL)methanol
CID 71742813
(R)-(4-benzylmorpholin-2-yl)methanol
CID 736506
1-Benzyl-3-methyl-3,4-piperidinediol
CID 6421558
3,4-Piperidinediol, 4-methyl-1-(phenylmethyl)-
CID 15500738
(3S,4S)-1-benzyl-3-methyl-piperidine-3,4-diol
CID 49768188
(3S,4S)-1-benzyl-4-methyl-piperidine-3,4-diol
CID 49768189
3-(Tert-butoxy)-1-[4-benzylpiperidyl]propan-2-ol
CID 3612148
1-(4-Benzylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 16958192
1-(4-Benzylpiperidin-1-yl)-3-(tert-butoxy)propan-2-ol hydrochloride
CID 18593266

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114779852) is [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(CC(F)(F)c2ccccc2)CC(CO)O1.
What is the InChIKey of [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is OHSAMIRVUCTHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-14(2)10-18(8-13(9-19)20-14)11-15(16,17)12-6-4-3-5-7-12/h3-7,13,19H,8-11H2,1-2H3.
What are the key properties of [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 285.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoro-2-phenylethyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).