1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol

C10H15F6NO3 — CID 138480552

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol
SMILESOC(CCN1CCOCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO3/c11-9(12,13)8(10(14,15)16)20-7(18)1-2-17-3-5-19-6-4-17/h7-8,18H,1-6H2
InChIKeyABUDNLYLWWAIKJ-UHFFFAOYSA-N
MW311.22 g/mol
LogP1.54
Rot. Bonds5

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol (PubChem CID 138480552) has the molecular formula C10H15F6NO3 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol
PubChem CID138480552
Molecular FormulaC10H15F6NO3
Molecular Weight311.22 g/mol
Exact Mass311.10
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol
SMILESOC(CCN1CCOCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO3/c11-9(12,13)8(10(14,15)16)20-7(18)1-2-17-3-5-19-6-4-17/h7-8,18H,1-6H2
InChIKeyABUDNLYLWWAIKJ-UHFFFAOYSA-N
XLogP1.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
CID 82534956
2-methoxy-1-(2-morpholin-4-ylethoxy)ethanol
CID 135137976
methyl (2S)-2-(chloroamino)-4-morpholin-4-ylbutanoate
CID 59414204
[2,2-bis[3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propanoyloxymethyl]-3-[3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoyloxy]propyl] 3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoate
CID 102466071
4-morpholin-4-ylbutane-1,2-diamine
CID 154463097
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
(2S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1,1-trifluorobutan-2-ol
CID 40549331
2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
CID 166930136
2-morpholin-4-yl-1-(trioxidanyl)ethanol
CID 58893564
bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate
CID 57309456

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol (CID 138480552) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol is OC(CCN1CCOCC1)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol?
The InChIKey is ABUDNLYLWWAIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO3/c11-9(12,13)8(10(14,15)16)20-7(18)1-2-17-3-5-19-6-4-17/h7-8,18H,1-6H2.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol has a molecular weight of 311.22 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 138480552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).