4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol

C14H17F5O — CID 156764645

IUPAC4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
SMILESCC(C)c1ccc(C(C)(O)CC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H17F5O/c1-9(2)10-4-6-11(7-5-10)12(3,20)8-13(15,16)14(17,18)19/h4-7,9,20H,8H2,1-3H3
InChIKeyVXUZQLJKISANND-UHFFFAOYSA-N
MW296.28 g/mol
LogP4.61
Rot. Bonds4

About 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol

4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol (PubChem CID 156764645) has the molecular formula C14H17F5O and a molecular weight of 296.28 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
PubChem CID156764645
Molecular FormulaC14H17F5O
Molecular Weight296.28 g/mol
Exact Mass296.12
IUPAC Name4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
SMILESCC(C)c1ccc(C(C)(O)CC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C14H17F5O/c1-9(2)10-4-6-11(7-5-10)12(3,20)8-13(15,16)14(17,18)19/h4-7,9,20H,8H2,1-3H3
InChIKeyVXUZQLJKISANND-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156765582
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
4,4,5,5,6,6,6-heptafluoro-2-(4-fluorophenyl)hexan-2-ol
CID 156764671
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-(4-fluorophenyl)nonan-2-ol
CID 156764661
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol
CID 156765464
1-butan-2-yl-4-(4,4,5,5,5-pentafluoro-2-methoxypentan-2-yl)benzene
CID 156765898
2-(4-ethylphenyl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-2-ol
CID 156764263
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-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol (CID 156764645) is 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol is CC(C)c1ccc(C(C)(O)CC(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol?
The InChIKey is VXUZQLJKISANND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5O/c1-9(2)10-4-6-11(7-5-10)12(3,20)8-13(15,16)14(17,18)19/h4-7,9,20H,8H2,1-3H3.
What are the key properties of 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol?
4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol has a molecular weight of 296.28 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol is sourced from PubChem (CID 156764645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).