CID 167493286

C10H10BF3 — CID 167493286

IUPAC—
SMILES[B]c1ccc(C(F)(F)F)cc1C(C)C
InChIInChI=1S/C10H10BF3/c1-6(2)8-5-7(10(12,13)14)3-4-9(8)11/h3-6H,1-2H3
InChIKeyGEKALXIXGAULFY-UHFFFAOYSA-N
MW198.00 g/mol
LogP2.62
Rot. Bonds1

About CID 167493286

CID 167493286 (PubChem CID 167493286) has the molecular formula C10H10BF3 and a molecular weight of 198.00 g/mol.

Molecular Properties

Compound NameCID 167493286
PubChem CID167493286
Molecular FormulaC10H10BF3
Molecular Weight198.00 g/mol
Exact Mass198.08
IUPAC Name—
SMILES[B]c1ccc(C(F)(F)F)cc1C(C)C
InChIInChI=1S/C10H10BF3/c1-6(2)8-5-7(10(12,13)14)3-4-9(8)11/h3-6H,1-2H3
InChIKeyGEKALXIXGAULFY-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 52.62
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

1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 20653714
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol
CID 145448217
4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761

Frequently Asked Questions

What is the IUPAC name of CID 167493286?
The IUPAC name of CID 167493286 (CID 167493286) is not available.
What is the SMILES notation for CID 167493286?
The canonical SMILES for CID 167493286 is [B]c1ccc(C(F)(F)F)cc1C(C)C.
What is the InChIKey of CID 167493286?
The InChIKey is GEKALXIXGAULFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF3/c1-6(2)8-5-7(10(12,13)14)3-4-9(8)11/h3-6H,1-2H3.
What are the key properties of CID 167493286?
CID 167493286 has a molecular weight of 198.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167493286 is sourced from PubChem (CID 167493286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).