(2S)-2-(difluoromethyl)morpholine;hydrochloride

C5H10ClF2NO — CID 140765944

IUPAC(2S)-2-(difluoromethyl)morpholine;hydrochloride
SMILESCl.FC(F)[C@@H]1CNCCO1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)4-3-8-1-2-9-4;/h4-5,8H,1-3H2;1H/t4-;/m0./s1
InChIKeyQDWKZGSDPAPRRX-WCCKRBBISA-N
MW173.59 g/mol
LogP0.66
Rot. Bonds1

About (2S)-2-(difluoromethyl)morpholine;hydrochloride

(2S)-2-(difluoromethyl)morpholine;hydrochloride (PubChem CID 140765944) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)morpholine;hydrochloride
PubChem CID140765944
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name(2S)-2-(difluoromethyl)morpholine;hydrochloride
SMILESCl.FC(F)[C@@H]1CNCCO1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)4-3-8-1-2-9-4;/h4-5,8H,1-3H2;1H/t4-;/m0./s1
InChIKeyQDWKZGSDPAPRRX-WCCKRBBISA-N
XLogP0.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(difluoromethyl)morpholine
CID 97296988
(7S)-7-(difluoromethyl)-1,4-oxazepane
CID 125041510
1-morpholin-2-ylpropane-1,2-diol;hydrochloride
CID 174973290
2,2,2-trifluoro-1-morpholin-2-ylethanol
CID 175950146
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
O-[1-[(2R)-morpholin-2-yl]ethyl]hydroxylamine
CID 89160024
2-(1-morpholin-2-ylethyl)guanidine;hydrochloride
CID 174836118
N-methyl-1-morpholin-2-ylbutan-1-amine
CID 116956402
N,N-dimethyl-1-morpholin-2-yl-1-(oxan-4-yl)methanamine
CID 116910867
1-(1-morpholin-2-ylethoxy)ethanol
CID 18790491
2-(1-pyrimidin-2-ylethyl)morpholine
CID 174892911
2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
CID 172639710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)morpholine;hydrochloride?
The IUPAC name of (2S)-2-(difluoromethyl)morpholine;hydrochloride (CID 140765944) is (2S)-2-(difluoromethyl)morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-(difluoromethyl)morpholine;hydrochloride?
The canonical SMILES for (2S)-2-(difluoromethyl)morpholine;hydrochloride is Cl.FC(F)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-(difluoromethyl)morpholine;hydrochloride?
The InChIKey is QDWKZGSDPAPRRX-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)4-3-8-1-2-9-4;/h4-5,8H,1-3H2;1H/t4-;/m0./s1.
What are the key properties of (2S)-2-(difluoromethyl)morpholine;hydrochloride?
(2S)-2-(difluoromethyl)morpholine;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)morpholine;hydrochloride is sourced from PubChem (CID 140765944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).