[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol

C11H10F6O — CID 134638791

IUPAC[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
SMILESCCc1ccc(CO)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-6-3-4-7(5-18)9(11(15,16)17)8(6)10(12,13)14/h3-4,18H,2,5H2,1H3
InChIKeyCFLOTKMMTXLVPZ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.78
Rot. Bonds2

About [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol

[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol (PubChem CID 134638791) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
PubChem CID134638791
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
SMILESCCc1ccc(CO)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-6-3-4-7(5-18)9(11(15,16)17)8(6)10(12,13)14/h3-4,18H,2,5H2,1H3
InChIKeyCFLOTKMMTXLVPZ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
4-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119023089
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
[4-nitro-2,3-bis(trifluoromethyl)phenyl]methanol
CID 119020025
(2-tert-butyl-3-ethylphenyl)methanol
CID 158088532
1-ethyl-2,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 135743105
4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 166657109
4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide
CID 118848904
[3-methyl-4-nitro-2-(trifluoromethyl)phenyl]methanol
CID 131328456
[3-methoxy-2,4-bis(trifluoromethyl)phenyl]methanol
CID 119001225
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
ethyl 2-[2-cyano-4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]acetate
CID 134655342

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol (CID 134638791) is [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol is CCc1ccc(CO)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is CFLOTKMMTXLVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-2-6-3-4-7(5-18)9(11(15,16)17)8(6)10(12,13)14/h3-4,18H,2,5H2,1H3.
What are the key properties of [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol?
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 272.19 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134638791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).