ethane;2-propan-2-yl-5-(trifluoromethyl)phenol

C12H17F3O — CID 177136292

IUPACethane;2-propan-2-yl-5-(trifluoromethyl)phenol
SMILESCC.CC(C)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H11F3O.C2H6/c1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-2/h3-6,14H,1-2H3;1-2H3
InChIKeyPTWWCLLVPHVJJU-UHFFFAOYSA-N
MW234.26 g/mol
LogP4.56
Rot. Bonds1

About ethane;2-propan-2-yl-5-(trifluoromethyl)phenol

ethane;2-propan-2-yl-5-(trifluoromethyl)phenol (PubChem CID 177136292) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is ethane;2-propan-2-yl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameethane;2-propan-2-yl-5-(trifluoromethyl)phenol
PubChem CID177136292
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Nameethane;2-propan-2-yl-5-(trifluoromethyl)phenol
SMILESCC.CC(C)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H11F3O.C2H6/c1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-2/h3-6,14H,1-2H3;1-2H3
InChIKeyPTWWCLLVPHVJJU-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
4-bromo-1-[2-hydroxy-4-(trifluoromethyl)phenyl]butane-1,2-diol
CID 171892595
4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol
CID 145448217
CID 167493286
CID 167493286
3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828607
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 20653714
4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridazine
CID 126486726
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-5-(trifluoromethyl)phenol?
The IUPAC name of ethane;2-propan-2-yl-5-(trifluoromethyl)phenol (CID 177136292) is ethane;2-propan-2-yl-5-(trifluoromethyl)phenol.
What is the SMILES notation for ethane;2-propan-2-yl-5-(trifluoromethyl)phenol?
The canonical SMILES for ethane;2-propan-2-yl-5-(trifluoromethyl)phenol is CC.CC(C)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of ethane;2-propan-2-yl-5-(trifluoromethyl)phenol?
The InChIKey is PTWWCLLVPHVJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O.C2H6/c1-6(2)8-4-3-7(5-9(8)14)10(11,12)13;1-2/h3-6,14H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-5-(trifluoromethyl)phenol?
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol has a molecular weight of 234.26 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 177136292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).