4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol

C11H10F4O — CID 170477046

IUPAC4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESOCCC=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O/c12-10-7-9(11(13,14)15)5-4-8(10)3-1-2-6-16/h1,3-5,7,16H,2,6H2
InChIKeyYEPCZDZZBBGORP-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.24
Rot. Bonds3

About 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol

4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 170477046) has the molecular formula C11H10F4O and a molecular weight of 234.19 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID170477046
Molecular FormulaC11H10F4O
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Name4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESOCCC=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H10F4O/c12-10-7-9(11(13,14)15)5-4-8(10)3-1-2-6-16/h1,3-5,7,16H,2,6H2
InChIKeyYEPCZDZZBBGORP-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 170477046) is 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol is OCCC=Cc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is YEPCZDZZBBGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O/c12-10-7-9(11(13,14)15)5-4-8(10)3-1-2-6-16/h1,3-5,7,16H,2,6H2.
What are the key properties of 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol?
4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 234.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170477046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).