2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol

C15H19F5O2 — CID 156764378

IUPAC2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol
SMILESCCC(C)Oc1ccccc1C(C)(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F5O2/c1-4-10(2)22-12-8-6-5-7-11(12)13(3,21)9-14(16,17)15(18,19)20/h5-8,10,21H,4,9H2,1-3H3
InChIKeyHNJRSKJRASRQFC-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol

2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol (PubChem CID 156764378) has the molecular formula C15H19F5O2 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol
PubChem CID156764378
Molecular FormulaC15H19F5O2
Molecular Weight326.31 g/mol
Exact Mass326.13
IUPAC Name2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol
SMILESCCC(C)Oc1ccccc1C(C)(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F5O2/c1-4-10(2)22-12-8-6-5-7-11(12)13(3,21)9-14(16,17)15(18,19)20/h5-8,10,21H,4,9H2,1-3H3
InChIKeyHNJRSKJRASRQFC-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
CID 156764380
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156763308
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765220
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-[2-[(2-methylpropan-2-yl)oxy]phenyl]undecan-2-ol
CID 156764401
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
1-(2-butan-2-yloxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 156765420
2-(4-butan-2-yloxyphenyl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-2-ol
CID 156764771
[2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctan-2-yl)phenyl] acetate
CID 156763423
1-(2-butan-2-yloxyphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-1-ol
CID 162348223
2-(3-butan-2-yloxyphenyl)-4,4,5,5,6,6,7,7,8,8,8-undecafluorooctan-2-ol
CID 156765720
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
[2-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl] acetate
CID 156765059

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol (CID 156764378) is 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol is CCC(C)Oc1ccccc1C(C)(O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol?
The InChIKey is HNJRSKJRASRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5O2/c1-4-10(2)22-12-8-6-5-7-11(12)13(3,21)9-14(16,17)15(18,19)20/h5-8,10,21H,4,9H2,1-3H3.
What are the key properties of 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol?
2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol has a molecular weight of 326.31 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol is sourced from PubChem (CID 156764378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).