4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine

C8H13F4NO — CID 90955605

IUPAC4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine
SMILESCC(F)(N1CCOCC1)C(F)(F)CF
InChIInChI=1S/C8H13F4NO/c1-7(10,8(11,12)6-9)13-2-4-14-5-3-13/h2-6H2,1H3
InChIKeyQGWIONFIYXXCEP-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.61
Rot. Bonds3

About 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine

4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine (PubChem CID 90955605) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine
PubChem CID90955605
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine
SMILESCC(F)(N1CCOCC1)C(F)(F)CF
InChIInChI=1S/C8H13F4NO/c1-7(10,8(11,12)6-9)13-2-4-14-5-3-13/h2-6H2,1H3
InChIKeyQGWIONFIYXXCEP-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 58998301
CID 58998301
2-morpholin-4-ylpropane-2-thiol
CID 139318537
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846
4-(2,4-dimethylpentan-2-yl)morpholine
CID 67965122
N-methyl-2-morpholin-4-ylpropan-2-amine
CID 166844618
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
4-(3,5,5-trimethylhexan-3-yl)morpholine
CID 123863287
1,2-dimorpholin-4-ylpropan-2-ol
CID 154210663
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine
CID 113327114

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine?
The IUPAC name of 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine (CID 90955605) is 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine.
What is the SMILES notation for 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine?
The canonical SMILES for 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine is CC(F)(N1CCOCC1)C(F)(F)CF.
What is the InChIKey of 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine?
The InChIKey is QGWIONFIYXXCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-7(10,8(11,12)6-9)13-2-4-14-5-3-13/h2-6H2,1H3.
What are the key properties of 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine?
4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine has a molecular weight of 215.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine is sourced from PubChem (CID 90955605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).