4-ethyl-2,5-bis(trifluoromethyl)phenol

C10H8F6O — CID 135742857

IUPAC4-ethyl-2,5-bis(trifluoromethyl)phenol
SMILESCCc1cc(C(F)(F)F)c(O)cc1C(F)(F)F
InChIInChI=1S/C10H8F6O/c1-2-5-3-7(10(14,15)16)8(17)4-6(5)9(11,12)13/h3-4,17H,2H2,1H3
InChIKeyMAWXJEVVKIAZPB-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.99
Rot. Bonds1

About 4-ethyl-2,5-bis(trifluoromethyl)phenol

4-ethyl-2,5-bis(trifluoromethyl)phenol (PubChem CID 135742857) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-ethyl-2,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-ethyl-2,5-bis(trifluoromethyl)phenol
PubChem CID135742857
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name4-ethyl-2,5-bis(trifluoromethyl)phenol
SMILESCCc1cc(C(F)(F)F)c(O)cc1C(F)(F)F
InChIInChI=1S/C10H8F6O/c1-2-5-3-7(10(14,15)16)8(17)4-6(5)9(11,12)13/h3-4,17H,2H2,1H3
InChIKeyMAWXJEVVKIAZPB-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933
1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
CID 117478323
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932
1-ethyl-2,4-bis(trifluoromethyl)-5-(trifluoromethylsulfanyl)benzene
CID 135743070
1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171027201
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
2-bromo-1-[4-ethyl-3-(trifluoromethyl)phenyl]ethanone
CID 91882617

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-bis(trifluoromethyl)phenol?
The IUPAC name of 4-ethyl-2,5-bis(trifluoromethyl)phenol (CID 135742857) is 4-ethyl-2,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for 4-ethyl-2,5-bis(trifluoromethyl)phenol?
The canonical SMILES for 4-ethyl-2,5-bis(trifluoromethyl)phenol is CCc1cc(C(F)(F)F)c(O)cc1C(F)(F)F.
What is the InChIKey of 4-ethyl-2,5-bis(trifluoromethyl)phenol?
The InChIKey is MAWXJEVVKIAZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-2-5-3-7(10(14,15)16)8(17)4-6(5)9(11,12)13/h3-4,17H,2H2,1H3.
What are the key properties of 4-ethyl-2,5-bis(trifluoromethyl)phenol?
4-ethyl-2,5-bis(trifluoromethyl)phenol has a molecular weight of 258.16 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 135742857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).