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

C12H15F3O — CID 66058572

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
SMILESCCC(CO)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-2-9(8-16)6-10-4-3-5-11(7-10)12(13,14)15/h3-5,7,9,16H,2,6,8H2,1H3
InChIKeyADAWFKZVWQZWOW-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.27
Rot. Bonds4

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

2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol (PubChem CID 66058572) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
PubChem CID66058572
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
SMILESCCC(CO)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-2-9(8-16)6-10-4-3-5-11(7-10)12(13,14)15/h3-5,7,9,16H,2,6,8H2,1H3
InChIKeyADAWFKZVWQZWOW-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol (CID 66058572) is 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol is CCC(CO)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol?
The InChIKey is ADAWFKZVWQZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-2-9(8-16)6-10-4-3-5-11(7-10)12(13,14)15/h3-5,7,9,16H,2,6,8H2,1H3.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol?
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol has a molecular weight of 232.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol is sourced from PubChem (CID 66058572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).