(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol

C11H10F3NO — CID 143183489

IUPAC(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol
SMILESC=N/C(=C(\O)CC)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H10F3NO/c1-3-10(16)11(15-2)6-4-8(13)9(14)5-7(6)12/h4-5,16H,2-3H2,1H3/b11-10-
InChIKeyZRUMANQZQOAEEL-KHPPLWFESA-N
MW229.20 g/mol
LogP3.44
Rot. Bonds3

About (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol

(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol (PubChem CID 143183489) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol
PubChem CID143183489
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol
SMILESC=N/C(=C(\O)CC)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H10F3NO/c1-3-10(16)11(15-2)6-4-8(13)9(14)5-7(6)12/h4-5,16H,2-3H2,1H3/b11-10-
InChIKeyZRUMANQZQOAEEL-KHPPLWFESA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol?
The IUPAC name of (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol (CID 143183489) is (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol.
What is the SMILES notation for (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol?
The canonical SMILES for (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol is C=N/C(=C(\O)CC)c1cc(F)c(F)cc1F.
What is the InChIKey of (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol?
The InChIKey is ZRUMANQZQOAEEL-KHPPLWFESA-N. The full InChI is InChI=1S/C11H10F3NO/c1-3-10(16)11(15-2)6-4-8(13)9(14)5-7(6)12/h4-5,16H,2-3H2,1H3/b11-10-.
What are the key properties of (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol?
(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol has a molecular weight of 229.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol is sourced from PubChem (CID 143183489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).