2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol

C13H15F5O — CID 20756244

IUPAC2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
SMILESCCC(C)c1ccc(C(O)(C(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F5O/c1-3-8(2)9-4-6-10(7-5-9)12(19,11(14)15)13(16,17)18/h4-8,11,19H,3H2,1-2H3
InChIKeyPFZIJNPZEMTPCD-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.22
Rot. Bonds4

About 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol

2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol (PubChem CID 20756244) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
PubChem CID20756244
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
SMILESCCC(C)c1ccc(C(O)(C(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F5O/c1-3-8(2)9-4-6-10(7-5-9)12(19,11(14)15)13(16,17)18/h4-8,11,19H,3H2,1-2H3
InChIKeyPFZIJNPZEMTPCD-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569
1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
CID 20771639
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338
2-(4-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-2-ol
CID 162348435
bis(4-butan-2-ylphenyl)-dihydroxysilane
CID 67121260
1-(4-butan-2-ylphenyl)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
CID 156766062
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
CID 23533183
1-butan-2-yl-4-[1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]benzene
CID 20771640
1-butan-2-yl-4-[1,1,1-trifluoro-2-[1-[(2-methylpropan-2-yl)oxy]ethenoxy]propan-2-yl]benzene
CID 58364107
1-butan-2-yl-4-(4,4,5,5,5-pentafluoro-2-methoxypentan-2-yl)benzene
CID 156765898
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol?
The IUPAC name of 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol (CID 20756244) is 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol is CCC(C)c1ccc(C(O)(C(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol?
The InChIKey is PFZIJNPZEMTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O/c1-3-8(2)9-4-6-10(7-5-9)12(19,11(14)15)13(16,17)18/h4-8,11,19H,3H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol?
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol has a molecular weight of 282.25 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol is sourced from PubChem (CID 20756244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).