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

C17H17F3O — CID 67342162

IUPAC1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol
SMILESCCC(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3O/c1-2-16(21)11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)17(18,19)20/h3-10,16,21H,2,11H2,1H3
InChIKeyUZXGOYXEDUVRJI-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.69
Rot. Bonds4

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

1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol (PubChem CID 67342162) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol
PubChem CID67342162
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol
SMILESCCC(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3O/c1-2-16(21)11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)17(18,19)20/h3-10,16,21H,2,11H2,1H3
InChIKeyUZXGOYXEDUVRJI-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol (CID 67342162) is 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol is CCC(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol?
The InChIKey is UZXGOYXEDUVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-2-16(21)11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)17(18,19)20/h3-10,16,21H,2,11H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol?
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol has a molecular weight of 294.32 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-2-ol is sourced from PubChem (CID 67342162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).