1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol

C13H14ClFO — CID 67682795

IUPAC1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol
SMILESOC(C(F)=CCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClFO/c14-11-6-4-10(5-7-11)13(16)12(15)8-3-9-1-2-9/h4-9,13,16H,1-3H2
InChIKeyMZIRALCUAKCZGZ-UHFFFAOYSA-N
MW240.71 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol

1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol (PubChem CID 67682795) has the molecular formula C13H14ClFO and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol
PubChem CID67682795
Molecular FormulaC13H14ClFO
Molecular Weight240.71 g/mol
Exact Mass240.07
IUPAC Name1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol
SMILESOC(C(F)=CCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClFO/c14-11-6-4-10(5-7-11)13(16)12(15)8-3-9-1-2-9/h4-9,13,16H,1-3H2
InChIKeyMZIRALCUAKCZGZ-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol (CID 67682795) is 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol is OC(C(F)=CCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol?
The InChIKey is MZIRALCUAKCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c14-11-6-4-10(5-7-11)13(16)12(15)8-3-9-1-2-9/h4-9,13,16H,1-3H2.
What are the key properties of 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol?
1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol has a molecular weight of 240.71 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-cyclopropyl-2-fluorobut-2-en-1-ol is sourced from PubChem (CID 67682795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).