4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol

C15H17F7O — CID 156765582

IUPAC4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
SMILESCC(C)c1ccc(C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H17F7O/c1-9(2)10-4-6-11(7-5-10)12(3,23)8-13(16,14(17,18)19)15(20,21)22/h4-7,9,23H,8H2,1-3H3
InChIKeyBWEOTXMKANKHED-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.24
Rot. Bonds4

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

4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol (PubChem CID 156765582) has the molecular formula C15H17F7O and a molecular weight of 346.29 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
PubChem CID156765582
Molecular FormulaC15H17F7O
Molecular Weight346.29 g/mol
Exact Mass346.12
IUPAC Name4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
SMILESCC(C)c1ccc(C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H17F7O/c1-9(2)10-4-6-11(7-5-10)12(3,23)8-13(16,14(17,18)19)15(20,21)22/h4-7,9,23H,8H2,1-3H3
InChIKeyBWEOTXMKANKHED-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
CID 156764645
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
ethyl 4-[4,5,5,5-tetrafluoro-2-hydroxy-4-(trifluoromethyl)pentan-2-yl]benzoate
CID 156764727
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
CID 62396641
4-hydroxy-2-methyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 117050042
1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
CID 116839228
1-(1-chloro-2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylbenzene
CID 63434521

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol (CID 156765582) is 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol is CC(C)c1ccc(C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol?
The InChIKey is BWEOTXMKANKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7O/c1-9(2)10-4-6-11(7-5-10)12(3,23)8-13(16,14(17,18)19)15(20,21)22/h4-7,9,23H,8H2,1-3H3.
What are the key properties of 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol?
4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol has a molecular weight of 346.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 156765582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).