3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol

C18H13BF2O2 — CID 157450130

IUPAC3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol
SMILESOC(=CC=C1C=CC=C1)c1c(OB(F)F)ccc2ccccc12
InChIInChI=1S/C18H13BF2O2/c20-19(21)23-17-12-10-14-7-3-4-8-15(14)18(17)16(22)11-9-13-5-1-2-6-13/h1-12,22H
InChIKeyJENYNTLZZSNNRZ-UHFFFAOYSA-N
MW310.11 g/mol
LogP5.09
Rot. Bonds4

About 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol

3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol (PubChem CID 157450130) has the molecular formula C18H13BF2O2 and a molecular weight of 310.11 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol
PubChem CID157450130
Molecular FormulaC18H13BF2O2
Molecular Weight310.11 g/mol
Exact Mass310.10
IUPAC Name3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol
SMILESOC(=CC=C1C=CC=C1)c1c(OB(F)F)ccc2ccccc12
InChIInChI=1S/C18H13BF2O2/c20-19(21)23-17-12-10-14-7-3-4-8-15(14)18(17)16(22)11-9-13-5-1-2-6-13/h1-12,22H
InChIKeyJENYNTLZZSNNRZ-UHFFFAOYSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.11
LogP ≤ 55.09
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'}

Analyze 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70475390
CID 70475390
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
(1-carbamoylnaphthalen-2-yl) formate
CID 91361931
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
naphthalen-1-yl prop-2-enoate
CID 10192638
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
2-(difluoromethyl)naphthalene-1-carboxylic acid
CID 118854351
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299
phenanthrene;prop-2-enoic acid
CID 88600118
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
CID 54563578

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol (CID 157450130) is 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol is OC(=CC=C1C=CC=C1)c1c(OB(F)F)ccc2ccccc12.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol?
The InChIKey is JENYNTLZZSNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BF2O2/c20-19(21)23-17-12-10-14-7-3-4-8-15(14)18(17)16(22)11-9-13-5-1-2-6-13/h1-12,22H.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol?
3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol has a molecular weight of 310.11 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol is sourced from PubChem (CID 157450130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).