CID 156710734

C14H10BF3 — CID 156710734

IUPAC—
SMILES[B]Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1
InChIInChI=1S/C14H10BF3/c15-9-10-6-7-13(14(16,17)18)12(8-10)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyBWCYHMVADQPSSI-UHFFFAOYSA-N
MW246.04 g/mol
LogP4.04
Rot. Bonds2

About CID 156710734

CID 156710734 (PubChem CID 156710734) has the molecular formula C14H10BF3 and a molecular weight of 246.04 g/mol.

Molecular Properties

Compound NameCID 156710734
PubChem CID156710734
Molecular FormulaC14H10BF3
Molecular Weight246.04 g/mol
Exact Mass246.08
IUPAC Name—
SMILES[B]Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1
InChIInChI=1S/C14H10BF3/c15-9-10-6-7-13(14(16,17)18)12(8-10)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyBWCYHMVADQPSSI-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 54.04
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

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2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
2-[3-pyridin-3-yl-4-(trifluoromethyl)phenyl]acetonitrile
CID 46316261
2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82039542
4-[4-amino-5-phenyl-2-(trifluoromethyl)phenyl]-2-phenyl-5-(trifluoromethyl)aniline
CID 156690017
4-phenyl-3-(trifluoromethyl)benzenethiol
CID 22057738
4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of CID 156710734?
The IUPAC name of CID 156710734 (CID 156710734) is not available.
What is the SMILES notation for CID 156710734?
The canonical SMILES for CID 156710734 is [B]Cc1ccc(C(F)(F)F)c(-c2ccccc2)c1.
What is the InChIKey of CID 156710734?
The InChIKey is BWCYHMVADQPSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BF3/c15-9-10-6-7-13(14(16,17)18)12(8-10)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of CID 156710734?
CID 156710734 has a molecular weight of 246.04 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156710734 is sourced from PubChem (CID 156710734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).