(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol

C14H9BF4O2 — CID 71592743

IUPAC(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol
SMILESO/C(=C\C=C1C=CC=C1)c1cc(F)cc(F)c1OB(F)F
InChIInChI=1S/C14H9BF4O2/c16-10-7-11(14(12(17)8-10)21-15(18)19)13(20)6-5-9-3-1-2-4-9/h1-8,20H/b13-6-
InChIKeyBAELLBKSKBWJEM-MLPAPPSSSA-N
MW296.03 g/mol
LogP4.22
Rot. Bonds4

About (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol

(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol (PubChem CID 71592743) has the molecular formula C14H9BF4O2 and a molecular weight of 296.03 g/mol. Its IUPAC name is (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol
PubChem CID71592743
Molecular FormulaC14H9BF4O2
Molecular Weight296.03 g/mol
Exact Mass296.06
IUPAC Name(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol
SMILESO/C(=C\C=C1C=CC=C1)c1cc(F)cc(F)c1OB(F)F
InChIInChI=1S/C14H9BF4O2/c16-10-7-11(14(12(17)8-10)21-15(18)19)13(20)6-5-9-3-1-2-4-9/h1-8,20H/b13-6-
InChIKeyBAELLBKSKBWJEM-MLPAPPSSSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methyl-3-nitrophenyl)prop-1-en-1-ol
CID 161447348
cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)
CID 78124780
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol
CID 71592750
(2,4,6-trifluorophenyl) trifluoromethanesulfonate
CID 87155117
cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone
CID 146006116
bis(2,4,6-trifluorophenyl) oxalate
CID 23448587
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
(2-acetyl-4,6-difluorophenyl) trifluoromethanesulfonate
CID 166482398
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)
CID 157292063
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine
CID 171366265
tris[[(3,5-difluoro-2-methoxybenzoyl)amino]-difluoromethyl] borate
CID 168727435

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol?
The IUPAC name of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol (CID 71592743) is (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol?
The canonical SMILES for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol is O/C(=C\C=C1C=CC=C1)c1cc(F)cc(F)c1OB(F)F.
What is the InChIKey of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol?
The InChIKey is BAELLBKSKBWJEM-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H9BF4O2/c16-10-7-11(14(12(17)8-10)21-15(18)19)13(20)6-5-9-3-1-2-4-9/h1-8,20H/b13-6-.
What are the key properties of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol?
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol has a molecular weight of 296.03 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-3,5-difluorophenyl)prop-1-en-1-ol is sourced from PubChem (CID 71592743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).