3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol

C18H14F6O — CID 91173371

IUPAC3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
SMILESCC(=CCO)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F6O/c1-11(6-7-25)12-2-4-13(5-3-12)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h2-6,8-10,25H,7H2,1H3
InChIKeyXJOPHXGSLFNKRR-UHFFFAOYSA-N
MW360.30 g/mol
LogP5.79
Rot. Bonds3

About 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol (PubChem CID 91173371) has the molecular formula C18H14F6O and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol.

Molecular Properties

Compound Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
PubChem CID91173371
Molecular FormulaC18H14F6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
SMILESCC(=CCO)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F6O/c1-11(6-7-25)12-2-4-13(5-3-12)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h2-6,8-10,25H,7H2,1H3
InChIKeyXJOPHXGSLFNKRR-UHFFFAOYSA-N
XLogP5.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 20765801
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
CID 176916029
(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol
CID 10739135
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
CID 54113945
ethyl 3-[4-[(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-enoxy]phenyl]-2-ethoxypropanoate
CID 10120993
4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
CID 34178690
(Z)-3-(4-iodophenyl)but-2-en-1-ol
CID 22557590
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CID 53226200
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol?
The IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol (CID 91173371) is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol.
What is the SMILES notation for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol?
The canonical SMILES for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol is CC(=CCO)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol?
The InChIKey is XJOPHXGSLFNKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6O/c1-11(6-7-25)12-2-4-13(5-3-12)14-8-15(17(19,20)21)10-16(9-14)18(22,23)24/h2-6,8-10,25H,7H2,1H3.
What are the key properties of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol?
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol has a molecular weight of 360.30 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol is sourced from PubChem (CID 91173371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).