4-(2,2-difluoro-3,3-dimethylbutyl)morpholine

C10H19F2NO — CID 137390792

IUPAC4-(2,2-difluoro-3,3-dimethylbutyl)morpholine
SMILESCC(C)(C)C(F)(F)CN1CCOCC1
InChIInChI=1S/C10H19F2NO/c1-9(2,3)10(11,12)8-13-4-6-14-7-5-13/h4-8H2,1-3H3
InChIKeyQZMMOBZCTAFBAU-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.00
Rot. Bonds2

About 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine

4-(2,2-difluoro-3,3-dimethylbutyl)morpholine (PubChem CID 137390792) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine.

Molecular Properties

Compound Name4-(2,2-difluoro-3,3-dimethylbutyl)morpholine
PubChem CID137390792
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(2,2-difluoro-3,3-dimethylbutyl)morpholine
SMILESCC(C)(C)C(F)(F)CN1CCOCC1
InChIInChI=1S/C10H19F2NO/c1-9(2,3)10(11,12)8-13-4-6-14-7-5-13/h4-8H2,1-3H3
InChIKeyQZMMOBZCTAFBAU-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine?
The IUPAC name of 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine (CID 137390792) is 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine.
What is the SMILES notation for 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine?
The canonical SMILES for 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine is CC(C)(C)C(F)(F)CN1CCOCC1.
What is the InChIKey of 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine?
The InChIKey is QZMMOBZCTAFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-9(2,3)10(11,12)8-13-4-6-14-7-5-13/h4-8H2,1-3H3.
What are the key properties of 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine?
4-(2,2-difluoro-3,3-dimethylbutyl)morpholine has a molecular weight of 207.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-3,3-dimethylbutyl)morpholine is sourced from PubChem (CID 137390792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).