1-chloro-4,5-diethyl-2,3-dihydroborole

C8H14BCl — CID 125480536

IUPAC1-chloro-4,5-diethyl-2,3-dihydroborole
SMILESCCC1=C(CC)B(Cl)CC1
InChIInChI=1S/C8H14BCl/c1-3-7-5-6-9(10)8(7)4-2/h3-6H2,1-2H3
InChIKeyLUTCXFWWZKQCDJ-UHFFFAOYSA-N
MW156.47 g/mol
LogP3.28
Rot. Bonds2

About 1-chloro-4,5-diethyl-2,3-dihydroborole

1-chloro-4,5-diethyl-2,3-dihydroborole (PubChem CID 125480536) has the molecular formula C8H14BCl and a molecular weight of 156.47 g/mol. Its IUPAC name is 1-chloro-4,5-diethyl-2,3-dihydroborole.

Molecular Properties

Compound Name1-chloro-4,5-diethyl-2,3-dihydroborole
PubChem CID125480536
Molecular FormulaC8H14BCl
Molecular Weight156.47 g/mol
Exact Mass156.09
IUPAC Name1-chloro-4,5-diethyl-2,3-dihydroborole
SMILESCCC1=C(CC)B(Cl)CC1
InChIInChI=1S/C8H14BCl/c1-3-7-5-6-9(10)8(7)4-2/h3-6H2,1-2H3
InChIKeyLUTCXFWWZKQCDJ-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,5-Diethyl-1-fluoro-2,3-dihydro-1h-borole
CID 129756412
4,5-Dibutyl-1-chloro--2,3-dihydro-1h-borole
CID 129749501
1-Bromo-4,5-diethyl-2,3-dihydro-1h-borole
CID 125480433
1-Chloro-4,5-dipropyl-2,3-dihydro-1h-borole
CID 125480448
1,3-Dichloro-4,5-diethyl-2-propan-2-ylidene-1,3-diborole
CID 14292374

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-diethyl-2,3-dihydroborole?
The IUPAC name of 1-chloro-4,5-diethyl-2,3-dihydroborole (CID 125480536) is 1-chloro-4,5-diethyl-2,3-dihydroborole.
What is the SMILES notation for 1-chloro-4,5-diethyl-2,3-dihydroborole?
The canonical SMILES for 1-chloro-4,5-diethyl-2,3-dihydroborole is CCC1=C(CC)B(Cl)CC1.
What is the InChIKey of 1-chloro-4,5-diethyl-2,3-dihydroborole?
The InChIKey is LUTCXFWWZKQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BCl/c1-3-7-5-6-9(10)8(7)4-2/h3-6H2,1-2H3.
What are the key properties of 1-chloro-4,5-diethyl-2,3-dihydroborole?
1-chloro-4,5-diethyl-2,3-dihydroborole has a molecular weight of 156.47 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-diethyl-2,3-dihydroborole is sourced from PubChem (CID 125480536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).