3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol

C13H15F3O2 — CID 79334184

IUPAC3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
SMILESCC(C)C(=Cc1ccccc1OC(F)(F)F)CO
InChIInChI=1S/C13H15F3O2/c1-9(2)11(8-17)7-10-5-3-4-6-12(10)18-13(14,15)16/h3-7,9,17H,8H2,1-2H3
InChIKeyKEVMABIZSPNYNE-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.62
Rot. Bonds4

About 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol

3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol (PubChem CID 79334184) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
PubChem CID79334184
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
SMILESCC(C)C(=Cc1ccccc1OC(F)(F)F)CO
InChIInChI=1S/C13H15F3O2/c1-9(2)11(8-17)7-10-5-3-4-6-12(10)18-13(14,15)16/h3-7,9,17H,8H2,1-2H3
InChIKeyKEVMABIZSPNYNE-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321888
2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334281
(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 103971309
N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 79340063
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
S-[3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] ethanethioate
CID 169457765
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-(3-chloro-2-methylpropyl)-2-(trifluoromethoxy)benzene
CID 64664413
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
The IUPAC name of 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol (CID 79334184) is 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol is CC(C)C(=Cc1ccccc1OC(F)(F)F)CO.
What is the InChIKey of 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
The InChIKey is KEVMABIZSPNYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-9(2)11(8-17)7-10-5-3-4-6-12(10)18-13(14,15)16/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol is sourced from PubChem (CID 79334184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).