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

C9H17F2NO — CID 166778796

IUPAC4-(2,2-difluoro-3-methylbutyl)morpholine
SMILESCC(C)C(F)(F)CN1CCOCC1
InChIInChI=1S/C9H17F2NO/c1-8(2)9(10,11)7-12-3-5-13-6-4-12/h8H,3-7H2,1-2H3
InChIKeyWFEVIXZQXDNBIL-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.61
Rot. Bonds3

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

4-(2,2-difluoro-3-methylbutyl)morpholine (PubChem CID 166778796) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(2,2-difluoro-3-methylbutyl)morpholine.

Molecular Properties

Compound Name4-(2,2-difluoro-3-methylbutyl)morpholine
PubChem CID166778796
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(2,2-difluoro-3-methylbutyl)morpholine
SMILESCC(C)C(F)(F)CN1CCOCC1
InChIInChI=1S/C9H17F2NO/c1-8(2)9(10,11)7-12-3-5-13-6-4-12/h8H,3-7H2,1-2H3
InChIKeyWFEVIXZQXDNBIL-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.61
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-methylbutyl)morpholine?
The IUPAC name of 4-(2,2-difluoro-3-methylbutyl)morpholine (CID 166778796) is 4-(2,2-difluoro-3-methylbutyl)morpholine.
What is the SMILES notation for 4-(2,2-difluoro-3-methylbutyl)morpholine?
The canonical SMILES for 4-(2,2-difluoro-3-methylbutyl)morpholine is CC(C)C(F)(F)CN1CCOCC1.
What is the InChIKey of 4-(2,2-difluoro-3-methylbutyl)morpholine?
The InChIKey is WFEVIXZQXDNBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2)9(10,11)7-12-3-5-13-6-4-12/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-difluoro-3-methylbutyl)morpholine?
4-(2,2-difluoro-3-methylbutyl)morpholine has a molecular weight of 193.24 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-(2,2-difluoro-3-methylbutyl)morpholine is sourced from PubChem (CID 166778796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).