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

C17H17F3O — CID 65146789

IUPAC2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
SMILESCCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H17F3O/c1-2-16(21,14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17(18,19)20/h3-11,21H,2,12H2,1H3
InChIKeyNORYCRHYRIUFMV-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.55
Rot. Bonds4

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

2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 65146789) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID65146789
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
SMILESCCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H17F3O/c1-2-16(21,14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17(18,19)20/h3-11,21H,2,12H2,1H3
InChIKeyNORYCRHYRIUFMV-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345
2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145336
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62723896
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butanenitrile
CID 155351066
3-(3-propylphenyl)pentan-3-ol
CID 116542305
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol (CID 65146789) is 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol is CCC(O)(Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is NORYCRHYRIUFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-2-16(21,14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)17(18,19)20/h3-11,21H,2,12H2,1H3.
What are the key properties of 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol?
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 294.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 65146789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).