2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol

C12H15F3O2 — CID 142936430

IUPAC2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
SMILESCCC(CO)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-2-11(7-16)17-8-9-3-5-10(6-4-9)12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeyMSOXGJTUMHKHIX-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.99
Rot. Bonds5

About 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol

2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol (PubChem CID 142936430) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
PubChem CID142936430
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol
SMILESCCC(CO)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-2-11(7-16)17-8-9-3-5-10(6-4-9)12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeyMSOXGJTUMHKHIX-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
(3R)-3-[[4-(trifluoromethyl)phenyl]methoxy]tetradecanoic acid
CID 11327111
[4-(trifluoromethyl)phenyl]methyl 2-aminobutanoate
CID 174480491
(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 12060228
1-[[methoxy(prop-1-en-2-yloxy)methoxy]methyl]-4-(trifluoromethyl)benzene
CID 101022276
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
CID 145436363
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol (CID 142936430) is 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol is CCC(CO)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
The InChIKey is MSOXGJTUMHKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-2-11(7-16)17-8-9-3-5-10(6-4-9)12(13,14)15/h3-6,11,16H,2,7-8H2,1H3.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methoxy]butan-1-ol is sourced from PubChem (CID 142936430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).