CID 122408815

C12H10BF9N — CID 122408815

IUPAC—
SMILESCN(C)c1ccccc1[B]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10BF9N/c1-23(2)8-6-4-3-5-7(8)13-9(10(14,15)16,11(17,18)19)12(20,21)22/h3-6H,1-2H3
InChIKeyNRBJNFPJAXGFFM-UHFFFAOYSA-N
MW350.01 g/mol
LogP3.93
Rot. Bonds3

About CID 122408815

CID 122408815 (PubChem CID 122408815) has the molecular formula C12H10BF9N and a molecular weight of 350.01 g/mol.

Molecular Properties

Compound NameCID 122408815
PubChem CID122408815
Molecular FormulaC12H10BF9N
Molecular Weight350.01 g/mol
Exact Mass350.08
IUPAC Name—
SMILESCN(C)c1ccccc1[B]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10BF9N/c1-23(2)8-6-4-3-5-7(8)13-9(10(14,15)16,11(17,18)19)12(20,21)22/h3-6H,1-2H3
InChIKeyNRBJNFPJAXGFFM-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 53.93
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

azane;N,N-dimethyl-2-phenylaniline
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2-iodo-N-methyl-N-(trifluoromethyl)aniline
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N-[2-(dimethylamino)phenyl]-N-methylformamide
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2-tert-butyl-N,N-dimethylaniline;ethane
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N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
2-tert-butylsulfinyl-N,N-dimethylaniline
CID 86245441
2-(dimethylamino)benzenediazonium tetrafluoroborate
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N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
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Frequently Asked Questions

What is the IUPAC name of CID 122408815?
The IUPAC name of CID 122408815 (CID 122408815) is not available.
What is the SMILES notation for CID 122408815?
The canonical SMILES for CID 122408815 is CN(C)c1ccccc1[B]C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 122408815?
The InChIKey is NRBJNFPJAXGFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BF9N/c1-23(2)8-6-4-3-5-7(8)13-9(10(14,15)16,11(17,18)19)12(20,21)22/h3-6H,1-2H3.
What are the key properties of CID 122408815?
CID 122408815 has a molecular weight of 350.01 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122408815 is sourced from PubChem (CID 122408815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).