4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol

C11H10ClF3O — CID 170477050

IUPAC4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESOCCC=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3O/c12-10-6-8(3-1-2-4-16)5-9(7-10)11(13,14)15/h1,3,5-7,16H,2,4H2
InChIKeyUZQDTZZHODREAD-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.75
Rot. Bonds3

About 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol

4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 170477050) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID170477050
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESOCCC=Cc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3O/c12-10-6-8(3-1-2-4-16)5-9(7-10)11(13,14)15/h1,3,5-7,16H,2,4H2
InChIKeyUZQDTZZHODREAD-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 170477050) is 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol is OCCC=Cc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is UZQDTZZHODREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-10-6-8(3-1-2-4-16)5-9(7-10)11(13,14)15/h1,3,5-7,16H,2,4H2.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 250.65 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170477050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).