2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol

C8H12F5NO2 — CID 145366185

IUPAC2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol
SMILESOCC(F)(F)C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F5NO2/c9-7(10,5-15)6(8(11,12)13)14-1-3-16-4-2-14/h6,15H,1-5H2
InChIKeyJPLQHVZANVTCKN-UHFFFAOYSA-N
MW249.18 g/mol
LogP0.88
Rot. Bonds3

About 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol

2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol (PubChem CID 145366185) has the molecular formula C8H12F5NO2 and a molecular weight of 249.18 g/mol. Its IUPAC name is 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol
PubChem CID145366185
Molecular FormulaC8H12F5NO2
Molecular Weight249.18 g/mol
Exact Mass249.08
IUPAC Name2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol
SMILESOCC(F)(F)C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F5NO2/c9-7(10,5-15)6(8(11,12)13)14-1-3-16-4-2-14/h6,15H,1-5H2
InChIKeyJPLQHVZANVTCKN-UHFFFAOYSA-N
XLogP0.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol with MolForge

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Related Compounds

3-(Morpholin-4-yl)butan-1-ol
CID 20069828
4-(1,1,1,2,3,3,4,4-Octafluoro-4-methoxybutan-2-yl)morpholine
CID 18725576
1,3,3,3-Tetrafluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-ol
CID 53902315
2,2-Difluoro-3-(morpholin-4-yl)propan-1-ol
CID 67321798
2,2,3,3,4,4-Hexafluoro-4-morpholin-4-ylbutan-1-ol
CID 89022124
[4-(2,2,2-Trifluoroethyl)morpholin-3-yl]methanol
CID 116444439
3-(2,2,3,3,5,5,6,6-Octafluoromorpholin-4-yl)propan-1-ol
CID 124108031
1-(2,2,3,3,5,5,6,6-Octafluoromorpholin-4-yl)propan-1-ol
CID 124108032
3,3,3-Trifluoro-2-[fluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]propan-1-ol
CID 129188949
4-Fluoro-4-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol
CID 129188953
2,2,3,4,4,4-Hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butan-1-ol
CID 129188962
4-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine
CID 130418338

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol?
The IUPAC name of 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol (CID 145366185) is 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol is OCC(F)(F)C(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol?
The InChIKey is JPLQHVZANVTCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO2/c9-7(10,5-15)6(8(11,12)13)14-1-3-16-4-2-14/h6,15H,1-5H2.
What are the key properties of 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol?
2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol has a molecular weight of 249.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,4-pentafluoro-3-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 145366185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).