4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol

C11H16F7NO2 — CID 58855373

IUPAC4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7NO2/c12-9(13,7-10(14,15)11(16,17)18)5-8(20)6-19-1-3-21-4-2-19/h8,20H,1-7H2
InChIKeyMPRYLIVTFZHPLP-UHFFFAOYSA-N
MW327.24 g/mol
LogP2.29
Rot. Bonds6

About 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol

4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol (PubChem CID 58855373) has the molecular formula C11H16F7NO2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol.

Molecular Properties

Compound Name4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol
PubChem CID58855373
Molecular FormulaC11H16F7NO2
Molecular Weight327.24 g/mol
Exact Mass327.11
IUPAC Name4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol
SMILESOC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7NO2/c12-9(13,7-10(14,15)11(16,17)18)5-8(20)6-19-1-3-21-4-2-19/h8,20H,1-7H2
InChIKeyMPRYLIVTFZHPLP-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol with MolForge

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Related Compounds

1-[methyl(3,3,3-trifluoropropyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110905333
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
(4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-pentadecafluoro-1-morpholin-4-ylundecan-2-yl) acetate
CID 58855508
1-(aziridin-1-yl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
CID 11971315
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol?
The IUPAC name of 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol (CID 58855373) is 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol.
What is the SMILES notation for 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol?
The canonical SMILES for 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol is OC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol?
The InChIKey is MPRYLIVTFZHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7NO2/c12-9(13,7-10(14,15)11(16,17)18)5-8(20)6-19-1-3-21-4-2-19/h8,20H,1-7H2.
What are the key properties of 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol?
4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol has a molecular weight of 327.24 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-ol is sourced from PubChem (CID 58855373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).