2-(difluoromethyl)-2-methylmorpholine;hydrochloride

C6H12ClF2NO — CID 126794170

IUPAC2-(difluoromethyl)-2-methylmorpholine;hydrochloride
SMILESCC1(C(F)F)CNCCO1.Cl
InChIInChI=1S/C6H11F2NO.ClH/c1-6(5(7)8)4-9-2-3-10-6;/h5,9H,2-4H2,1H3;1H
InChIKeyCOAZDZLLLCOBDJ-UHFFFAOYSA-N
MW187.62 g/mol
LogP1.05
Rot. Bonds1

About 2-(difluoromethyl)-2-methylmorpholine;hydrochloride

2-(difluoromethyl)-2-methylmorpholine;hydrochloride (PubChem CID 126794170) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methylmorpholine;hydrochloride
PubChem CID126794170
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name2-(difluoromethyl)-2-methylmorpholine;hydrochloride
SMILESCC1(C(F)F)CNCCO1.Cl
InChIInChI=1S/C6H11F2NO.ClH/c1-6(5(7)8)4-9-2-3-10-6;/h5,9H,2-4H2,1H3;1H
InChIKeyCOAZDZLLLCOBDJ-UHFFFAOYSA-N
XLogP1.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylmorpholin-2-yl)ethanol
CID 133188569
(2R)-2-methyl-2-(trifluoromethyl)morpholine
CID 124552386
2-methyl-2-propan-2-yl-1,4-oxazepane
CID 114494521
(2S)-2-tert-butyl-2-methylmorpholine
CID 129375602
(2R,6R)-2-(difluoromethyl)-2,6-dimethylmorpholine
CID 125424449
7-(1-iodoethyl)-7-methyl-1,4-oxazepane
CID 144676125
2-methyl-2-(2-methylpropyl)morpholine
CID 65122296
2-methoxy-2-methylmorpholine
CID 174297458
[(2R)-2-methylmorpholin-2-yl]methanol
CID 162361659
(2-methylmorpholin-2-yl)methanol
CID 135262535
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
2,2-diiodomorpholine
CID 141174185

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methylmorpholine;hydrochloride?
The IUPAC name of 2-(difluoromethyl)-2-methylmorpholine;hydrochloride (CID 126794170) is 2-(difluoromethyl)-2-methylmorpholine;hydrochloride.
What is the SMILES notation for 2-(difluoromethyl)-2-methylmorpholine;hydrochloride?
The canonical SMILES for 2-(difluoromethyl)-2-methylmorpholine;hydrochloride is CC1(C(F)F)CNCCO1.Cl.
What is the InChIKey of 2-(difluoromethyl)-2-methylmorpholine;hydrochloride?
The InChIKey is COAZDZLLLCOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c1-6(5(7)8)4-9-2-3-10-6;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 2-(difluoromethyl)-2-methylmorpholine;hydrochloride?
2-(difluoromethyl)-2-methylmorpholine;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methylmorpholine;hydrochloride is sourced from PubChem (CID 126794170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).