4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol

C15H17F7O2 — CID 156764380

IUPAC4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
SMILESCC(C)Oc1ccccc1C(C)(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F7O2/c1-9(2)24-11-7-5-4-6-10(11)12(3,23)8-13(16,17)14(18,19)15(20,21)22/h4-7,9,23H,8H2,1-3H3
InChIKeyITSKRHKHWLUXNR-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.90
Rot. Bonds6

About 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol

4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol (PubChem CID 156764380) has the molecular formula C15H17F7O2 and a molecular weight of 362.29 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
PubChem CID156764380
Molecular FormulaC15H17F7O2
Molecular Weight362.29 g/mol
Exact Mass362.11
IUPAC Name4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
SMILESCC(C)Oc1ccccc1C(C)(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F7O2/c1-9(2)24-11-7-5-4-6-10(11)12(3,23)8-13(16,17)14(18,19)15(20,21)22/h4-7,9,23H,8H2,1-3H3
InChIKeyITSKRHKHWLUXNR-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol
CID 156764378
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-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctan-2-yl)phenyl] acetate
CID 156763423
2-(2-bromophenyl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-2-ol
CID 156764751
1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
CID 113490178
2,6-dimethyl-4-(2-propan-2-yloxyphenyl)heptan-4-ol
CID 114865145
2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
CID 10999932
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156763308
4,4,5,5,6,6,6-heptafluoro-2-(4-fluorophenyl)hexan-2-ol
CID 156764671
4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol
CID 156765464
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765220

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol (CID 156764380) is 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol is CC(C)Oc1ccccc1C(C)(O)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol?
The InChIKey is ITSKRHKHWLUXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7O2/c1-9(2)24-11-7-5-4-6-10(11)12(3,23)8-13(16,17)14(18,19)15(20,21)22/h4-7,9,23H,8H2,1-3H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol?
4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol has a molecular weight of 362.29 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol is sourced from PubChem (CID 156764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).