2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H24F6O2 — CID 58820897

IUPAC2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC12CC3CC(C1)CC(C(O)(C(F)(F)F)C(F)(F)F)(C3)C2
InChIInChI=1S/C17H24F6O2/c1-3-10(2)25-14-7-11-4-12(8-14)6-13(5-11,9-14)15(24,16(18,19)20)17(21,22)23/h10-12,24H,3-9H2,1-2H3
InChIKeyPKUDFPDDCHHADT-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.00
Rot. Bonds4

About 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58820897) has the molecular formula C17H24F6O2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58820897
Molecular FormulaC17H24F6O2
Molecular Weight374.37 g/mol
Exact Mass374.17
IUPAC Name2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC12CC3CC(C1)CC(C(O)(C(F)(F)F)C(F)(F)F)(C3)C2
InChIInChI=1S/C17H24F6O2/c1-3-10(2)25-14-7-11-4-12(8-14)6-13(5-11,9-14)15(24,16(18,19)20)17(21,22)23/h10-12,24H,3-9H2,1-2H3
InChIKeyPKUDFPDDCHHADT-UHFFFAOYSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyethanol
CID 58820964
1,1,1,3,3,3-hexafluoro-2-[3-(2,3,3-trifluorobutan-2-yloxy)-1-adamantyl]propan-2-ol
CID 58820959
1,1,1,3,3,3-hexafluoro-2-(3-methyl-1-adamantyl)propan-2-ol
CID 59460064
[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-adamantyl]propan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
CID 21020813
[3-(2,2,3,3,3-pentafluoropropanoyloxy)-1-adamantyl] 2-methylbutanoate
CID 89280319
(3-hydroxy-1-adamantyl) 2-butan-2-yl-4,4-dimethyl-2-(trifluoromethyl)pentanoate
CID 123755105
[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate
CID 59616251
2-(1-adamantyl)-3-ethylpentan-2-ol
CID 18323328
(3-hydroxy-1-adamantyl) 2-ethyl-3-methylbutanoate
CID 129308989
[3-[1-(2,2,3,3,4,4,4-heptafluorobutoxy)-1-oxopropan-2-yl]oxy-1-adamantyl]methyl 2-methylprop-2-enoate
CID 121323927
1,1-difluoro-2-[2-[[3-(3-hydroxypentan-3-yl)-1-adamantyl]oxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[[5-(3-hydroxypentan-3-yl)-2-adamantyl]oxy]acetyl]oxypropane-1-sulfonate
CID 163783020
1-[(2R)-3-methylbutan-2-yl]oxyadamantane
CID 71229319

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58820897) is 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)OC12CC3CC(C1)CC(C(O)(C(F)(F)F)C(F)(F)F)(C3)C2.
What is the InChIKey of 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is PKUDFPDDCHHADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6O2/c1-3-10(2)25-14-7-11-4-12(8-14)6-13(5-11,9-14)15(24,16(18,19)20)17(21,22)23/h10-12,24H,3-9H2,1-2H3.
What are the key properties of 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 374.37 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58820897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).