[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol

C11H10F6O — CID 134638824

IUPAC[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol
SMILESCCc1cc(CO)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-7-3-6(5-18)4-8(10(12,13)14)9(7)11(15,16)17/h3-4,18H,2,5H2,1H3
InChIKeyKNNUPJNZQAOSQW-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.78
Rot. Bonds2

About [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol

[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol (PubChem CID 134638824) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol
PubChem CID134638824
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name[3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol
SMILESCCc1cc(CO)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F6O/c1-2-7-3-6(5-18)4-8(10(12,13)14)9(7)11(15,16)17/h3-4,18H,2,5H2,1H3
InChIKeyKNNUPJNZQAOSQW-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

5-(hydroxymethyl)-2,3-bis(trifluoromethyl)phenol
CID 134638839
1-(bromomethyl)-5-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742791
3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
CID 119014959
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
CID 134638808
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
CID 148992984
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
CID 135742866
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
[3-methyl-5-nitro-4-(trifluoromethyl)phenyl]methanol
CID 131328459

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol (CID 134638824) is [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol is CCc1cc(CO)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is KNNUPJNZQAOSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-2-7-3-6(5-18)4-8(10(12,13)14)9(7)11(15,16)17/h3-4,18H,2,5H2,1H3.
What are the key properties of [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol?
[3-ethyl-4,5-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 [3-ethyl-4,5-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).