2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride

C8H14ClF2NO3 — CID 167725358

IUPAC2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)CCN1CCOCC1
InChIInChI=1S/C8H13F2NO3.ClH/c9-8(10,7(12)13)1-2-11-3-5-14-6-4-11;/h1-6H2,(H,12,13);1H
InChIKeyYQSMEPISOUWFFR-UHFFFAOYSA-N
MW245.65 g/mol
LogP0.85
Rot. Bonds4

About 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride

2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride (PubChem CID 167725358) has the molecular formula C8H14ClF2NO3 and a molecular weight of 245.65 g/mol. Its IUPAC name is 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride
PubChem CID167725358
Molecular FormulaC8H14ClF2NO3
Molecular Weight245.65 g/mol
Exact Mass245.06
IUPAC Name2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)CCN1CCOCC1
InChIInChI=1S/C8H13F2NO3.ClH/c9-8(10,7(12)13)1-2-11-3-5-14-6-4-11;/h1-6H2,(H,12,13);1H
InChIKeyYQSMEPISOUWFFR-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.65
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinebutanoic acid
CID 79872
4-Morpholin-4-Yl-Butyric Acid Hydrochloride
CID 12733746
a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
4-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 54962326
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
CID 61490508
4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 61601678
4,4,4-Trifluoro-3-(morpholin-4-yl)butanoic acid
CID 63069442
4-[Methyl-[2-(trifluoromethoxy)ethyl]amino]butanoic acid
CID 65804575
1-[2-(Trifluoromethoxy)ethyl]piperidine-4-carboxylic acid
CID 65805455
2-[4-[3-(2,2,2-Trifluoroethoxy)propyl]morpholin-2-yl]acetic acid
CID 66433115
2-[4-(2,2,2-Trifluoroethyl)morpholin-2-yl]acetic acid
CID 66433129

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride?
The IUPAC name of 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride (CID 167725358) is 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride?
The canonical SMILES for 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride is Cl.O=C(O)C(F)(F)CCN1CCOCC1.
What is the InChIKey of 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride?
The InChIKey is YQSMEPISOUWFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3.ClH/c9-8(10,7(12)13)1-2-11-3-5-14-6-4-11;/h1-6H2,(H,12,13);1H.
What are the key properties of 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride?
2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride has a molecular weight of 245.65 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-morpholin-4-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 167725358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).