[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane

C14H20BFO — CID 88897052

IUPAC[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane
SMILESBc1ccc(OCCC2CCCCC2)cc1F
InChIInChI=1S/C14H20BFO/c15-13-7-6-12(10-14(13)16)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,15H2
InChIKeyPJJDCAQMGRJNIG-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.43
Rot. Bonds4

About [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane

[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane (PubChem CID 88897052) has the molecular formula C14H20BFO and a molecular weight of 234.12 g/mol. Its IUPAC name is [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane.

Molecular Properties

Compound Name[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane
PubChem CID88897052
Molecular FormulaC14H20BFO
Molecular Weight234.12 g/mol
Exact Mass234.16
IUPAC Name[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane
SMILESBc1ccc(OCCC2CCCCC2)cc1F
InChIInChI=1S/C14H20BFO/c15-13-7-6-12(10-14(13)16)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,15H2
InChIKeyPJJDCAQMGRJNIG-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
4-(2-cyclopentylethoxy)pyridine
CID 91320777
4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline
CID 54801973
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
[2-fluoro-4-(2-pyridin-4-ylethoxy)phenyl]borane
CID 88897064
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
3-(2-cyclobutylethoxy)-5-fluorobenzaldehyde
CID 106202440
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
2-[2-(4-chloro-3-fluorophenoxy)ethyl]cyclopentan-1-one
CID 82707034

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane?
The IUPAC name of [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane (CID 88897052) is [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane.
What is the SMILES notation for [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane?
The canonical SMILES for [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane is Bc1ccc(OCCC2CCCCC2)cc1F.
What is the InChIKey of [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane?
The InChIKey is PJJDCAQMGRJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO/c15-13-7-6-12(10-14(13)16)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,15H2.
What are the key properties of [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane?
[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane has a molecular weight of 234.12 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylethoxy)-2-fluorophenyl]borane is sourced from PubChem (CID 88897052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).