CID 175034195

C9H16BF3N2 — CID 175034195

IUPAC—
SMILESF.F.F.[B]C1N(CC=C)C=CN1CC=C
InChIInChI=1S/C9H13BN2.3FH/c1-3-5-11-7-8-12(6-4-2)9(11)10;;;/h3-4,7-9H,1-2,5-6H2;3*1H
InChIKeyUVCIQLZECKWQBX-UHFFFAOYSA-N
MW220.05 g/mol
LogP1.36
Rot. Bonds4

About CID 175034195

CID 175034195 (PubChem CID 175034195) has the molecular formula C9H16BF3N2 and a molecular weight of 220.05 g/mol.

Molecular Properties

Compound NameCID 175034195
PubChem CID175034195
Molecular FormulaC9H16BF3N2
Molecular Weight220.05 g/mol
Exact Mass220.14
IUPAC Name—
SMILESF.F.F.[B]C1N(CC=C)C=CN1CC=C
InChIInChI=1S/C9H13BN2.3FH/c1-3-5-11-7-8-12(6-4-2)9(11)10;;;/h3-4,7-9H,1-2,5-6H2;3*1H
InChIKeyUVCIQLZECKWQBX-UHFFFAOYSA-N
XLogP1.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde
CID 173132179
1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole
CID 174535033
1,2-dimethyl-3-prop-2-enyl-2H-imidazole;hexafluoroantimony(1-)
CID 175588824
[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl] prop-2-ene-1-sulfonate
CID 87783533
1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide
CID 174772123
acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole
CID 175561593
1,2-bis(prop-2-enyl)-1H-isoquinoline
CID 15472971
1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
5,8-dibromo-1,2-bis(prop-2-enyl)-1H-isoquinoline
CID 15472975
1-prop-2-enyl(213C)azinane
CID 173137320
6-prop-2-enyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 156640071
3-prop-2-enyl-2H-1,3-oxazole
CID 66809842

Frequently Asked Questions

What is the IUPAC name of CID 175034195?
The IUPAC name of CID 175034195 (CID 175034195) is not available.
What is the SMILES notation for CID 175034195?
The canonical SMILES for CID 175034195 is F.F.F.[B]C1N(CC=C)C=CN1CC=C.
What is the InChIKey of CID 175034195?
The InChIKey is UVCIQLZECKWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BN2.3FH/c1-3-5-11-7-8-12(6-4-2)9(11)10;;;/h3-4,7-9H,1-2,5-6H2;3*1H.
What are the key properties of CID 175034195?
CID 175034195 has a molecular weight of 220.05 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175034195 is sourced from PubChem (CID 175034195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).