2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol

C14H15F7O — CID 156763097

IUPAC2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
SMILESCCc1ccccc1C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H15F7O/c1-3-9-6-4-5-7-10(9)11(2,22)8-12(15,13(16,17)18)14(19,20)21/h4-7,22H,3,8H2,1-2H3
InChIKeyOLRJGSWSZVVXLV-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.68
Rot. Bonds4

About 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol

2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol (PubChem CID 156763097) has the molecular formula C14H15F7O and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
PubChem CID156763097
Molecular FormulaC14H15F7O
Molecular Weight332.26 g/mol
Exact Mass332.10
IUPAC Name2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
SMILESCCc1ccccc1C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H15F7O/c1-3-9-6-4-5-7-10(9)11(2,22)8-12(15,13(16,17)18)14(19,20)21/h4-7,22H,3,8H2,1-2H3
InChIKeyOLRJGSWSZVVXLV-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylphenyl)propan-2-ol
CID 11958936
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
amino-(2-ethylphenyl)methanediol
CID 174590364
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
CID 173399358
1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156764039
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
ethyl 2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzoate
CID 156763938

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol (CID 156763097) is 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol is CCc1ccccc1C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol?
The InChIKey is OLRJGSWSZVVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F7O/c1-3-9-6-4-5-7-10(9)11(2,22)8-12(15,13(16,17)18)14(19,20)21/h4-7,22H,3,8H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol?
2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol has a molecular weight of 332.26 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 156763097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).