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

C12H13F3O2 — CID 79334281

IUPAC2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
SMILESCCC(=Cc1ccccc1OC(F)(F)F)CO
InChIInChI=1S/C12H13F3O2/c1-2-9(8-16)7-10-5-3-4-6-11(10)17-12(13,14)15/h3-7,16H,2,8H2,1H3
InChIKeyGTMHCBGDTUSDSI-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.37
Rot. Bonds4

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

2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol (PubChem CID 79334281) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
PubChem CID79334281
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
SMILESCCC(=Cc1ccccc1OC(F)(F)F)CO
InChIInChI=1S/C12H13F3O2/c1-2-9(8-16)7-10-5-3-4-6-11(10)17-12(13,14)15/h3-7,16H,2,8H2,1H3
InChIKeyGTMHCBGDTUSDSI-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334184
N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 79340063
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321888
1-[2-(chloromethyl)but-1-enyl]-2-(difluoromethoxy)benzene
CID 79334225
1-[2-(bromomethyl)but-1-enyl]-2-ethoxybenzene
CID 79324457
(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 103971309
2-[(2,3-dichlorophenyl)methylidene]butan-1-ol
CID 79334969
N-ethyl-4-[2-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79592283
(2E)-2-[[2-(2-fluorophenoxy)-6-propan-2-ylphenyl]methylidene]butan-1-ol
CID 142454108
S-[3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] ethanethioate
CID 169457765
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
[2-(trifluoromethoxy)phenyl] 2-methylidenebutanoate
CID 118040117

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
The IUPAC name of 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol (CID 79334281) is 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol.
What is the SMILES notation for 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
The canonical SMILES for 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol is CCC(=Cc1ccccc1OC(F)(F)F)CO.
What is the InChIKey of 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
The InChIKey is GTMHCBGDTUSDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-2-9(8-16)7-10-5-3-4-6-11(10)17-12(13,14)15/h3-7,16H,2,8H2,1H3.
What are the key properties of 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol?
2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol is sourced from PubChem (CID 79334281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).