CID 162751874

C9H9BBrF3 — CID 162751874

IUPAC—
SMILESCC.[B]c1c(F)c(F)c(C)c(Br)c1F
InChIInChI=1S/C7H3BBrF3.C2H6/c1-2-4(9)6(11)3(8)7(12)5(2)10;1-2/h1H3;1-2H3
InChIKeyWVGUXNHNUAQTPW-UHFFFAOYSA-N
MW264.88 g/mol
LogP2.99
Rot. Bonds

About CID 162751874

CID 162751874 (PubChem CID 162751874) has the molecular formula C9H9BBrF3 and a molecular weight of 264.88 g/mol.

Molecular Properties

Compound NameCID 162751874
PubChem CID162751874
Molecular FormulaC9H9BBrF3
Molecular Weight264.88 g/mol
Exact Mass263.99
IUPAC Name—
SMILESCC.[B]c1c(F)c(F)c(C)c(Br)c1F
InChIInChI=1S/C7H3BBrF3.C2H6/c1-2-4(9)6(11)3(8)7(12)5(2)10;1-2/h1H3;1-2H3
InChIKeyWVGUXNHNUAQTPW-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.88
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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1,2,4,5-tetrafluoro-3,6-dimethylbenzene
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1-bromo-2,3,5-trifluoro-6-iodo-4-methylbenzene
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9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene
CID 91225361
ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 142404647
CID 162530200
CID 162530200
2-bromo-3,4,6-trifluoro-5-methylbenzaldehyde
CID 87145399
CID 18722884
CID 18722884
3-bromo-2,4,6-trifluoro-5-methylaniline
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Frequently Asked Questions

What is the IUPAC name of CID 162751874?
The IUPAC name of CID 162751874 (CID 162751874) is not available.
What is the SMILES notation for CID 162751874?
The canonical SMILES for CID 162751874 is CC.[B]c1c(F)c(F)c(C)c(Br)c1F.
What is the InChIKey of CID 162751874?
The InChIKey is WVGUXNHNUAQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BBrF3.C2H6/c1-2-4(9)6(11)3(8)7(12)5(2)10;1-2/h1H3;1-2H3.
What are the key properties of CID 162751874?
CID 162751874 has a molecular weight of 264.88 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162751874 is sourced from PubChem (CID 162751874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).