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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Related Compounds

(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
1-chloro-3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzene
CID 170499630
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
4-[3-chloro-5-(trifluoromethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170496242
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484042
3-chloro-5-(4-hydroxybut-1-enyl)benzoic acid
CID 170476796
1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
CID 123239605
N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465954
4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]but-3-en-1-ol
CID 170477660
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482204
benzyl N-[4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494545
3-(4-chlorobut-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 170500039

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).