[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C14H19F2NO2 — CID 114779730

IUPAC[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2cc(F)ccc2F)CC(CO)O1
InChIInChI=1S/C14H19F2NO2/c1-14(2)9-17(7-12(8-18)19-14)6-10-5-11(15)3-4-13(10)16/h3-5,12,18H,6-9H2,1-2H3
InChIKeySBPCRNXQEKITTQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.94
Rot. Bonds3

About [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779730) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779730
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2cc(F)ccc2F)CC(CO)O1
InChIInChI=1S/C14H19F2NO2/c1-14(2)9-17(7-12(8-18)19-14)6-10-5-11(15)3-4-13(10)16/h3-5,12,18H,6-9H2,1-2H3
InChIKeySBPCRNXQEKITTQ-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-4-ol
CID 78461
(4-Benzyl-3-methylmorpholin-3-yl)methanol
CID 22342862
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
4-(2,5-Difluorobenzyl)morpholine
CID 743078
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229
4-(3,4-Difluorobenzyl)morpholine
CID 783106
4-(4-Fluorobenzyl)morpholine
CID 783657
4-(2,6-Difluorobenzyl)morpholine
CID 2845287
3-(Methyl(phenylmethyl)amino)-1,2-propanediol
CID 108434
3,4-Piperidinediol, 1,3-dimethyl-6-(2-fluorophenyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051062
(4-Benzylmorpholin-3-yl)methanol
CID 5058361

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779730) is [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2cc(F)ccc2F)CC(CO)O1.
What is the InChIKey of [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is SBPCRNXQEKITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-14(2)9-17(7-12(8-18)19-14)6-10-5-11(15)3-4-13(10)16/h3-5,12,18H,6-9H2,1-2H3.
What are the key properties of [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 271.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).