(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine

C8H15F2NO — CID 170006232

IUPAC(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine
SMILESCCC(C)N1C[C@@H](F)O[C@H](F)C1
InChIInChI=1S/C8H15F2NO/c1-3-6(2)11-4-7(9)12-8(10)5-11/h6-8H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyZPZFMNZJDTVPCK-ALKRTJFJSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds2

About (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine

(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine (PubChem CID 170006232) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine.

Molecular Properties

Compound Name(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine
PubChem CID170006232
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine
SMILESCCC(C)N1C[C@@H](F)O[C@H](F)C1
InChIInChI=1S/C8H15F2NO/c1-3-6(2)11-4-7(9)12-8(10)5-11/h6-8H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyZPZFMNZJDTVPCK-ALKRTJFJSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
3-fluoro-1-pentan-2-ylazetidine
CID 126993950
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
1-butan-2-yl-3-chloro-5-methylpiperidine
CID 130802847
N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
CID 134267174
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine
CID 166707583
1-(1-butan-2-ylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183854
3-bromo-1-butan-2-ylpyrrolidine
CID 80675941
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130577937

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine?
The IUPAC name of (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine (CID 170006232) is (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine.
What is the SMILES notation for (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine?
The canonical SMILES for (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine is CCC(C)N1C[C@@H](F)O[C@H](F)C1.
What is the InChIKey of (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine?
The InChIKey is ZPZFMNZJDTVPCK-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-3-6(2)11-4-7(9)12-8(10)5-11/h6-8H,3-5H2,1-2H3/t6?,7-,8-/m0/s1.
What are the key properties of (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine?
(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine has a molecular weight of 179.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-butan-2-yl-2,6-difluoromorpholine is sourced from PubChem (CID 170006232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).