CID 87823918

C14H7BF6O — CID 87823918

IUPAC—
SMILES[B]c1c(F)c(F)c(-c2c(F)cc(F)c(C)c2F)c(F)c1OC
InChIInChI=1S/C14H7BF6O/c1-4-5(16)3-6(17)7(10(4)18)8-11(19)13(21)9(15)14(22-2)12(8)20/h3H,1-2H3
InChIKeyQRFKVDMGRYXWBJ-UHFFFAOYSA-N
MW316.01 g/mol
LogP3.30
Rot. Bonds2

About CID 87823918

CID 87823918 (PubChem CID 87823918) has the molecular formula C14H7BF6O and a molecular weight of 316.01 g/mol.

Molecular Properties

Compound NameCID 87823918
PubChem CID87823918
Molecular FormulaC14H7BF6O
Molecular Weight316.01 g/mol
Exact Mass316.05
IUPAC Name—
SMILES[B]c1c(F)c(F)c(-c2c(F)cc(F)c(C)c2F)c(F)c1OC
InChIInChI=1S/C14H7BF6O/c1-4-5(16)3-6(17)7(10(4)18)8-11(19)13(21)9(15)14(22-2)12(8)20/h3H,1-2H3
InChIKeyQRFKVDMGRYXWBJ-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.01
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 87822920
CID 87822920
CID 87825992
CID 87825992
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
CID 87823545
CID 87823545
1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene
CID 89142850
1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene
CID 170287303
1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87428777
1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 102261730
2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87458041
CID 165401868
CID 165401868
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045586
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913

Frequently Asked Questions

What is the IUPAC name of CID 87823918?
The IUPAC name of CID 87823918 (CID 87823918) is not available.
What is the SMILES notation for CID 87823918?
The canonical SMILES for CID 87823918 is [B]c1c(F)c(F)c(-c2c(F)cc(F)c(C)c2F)c(F)c1OC.
What is the InChIKey of CID 87823918?
The InChIKey is QRFKVDMGRYXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BF6O/c1-4-5(16)3-6(17)7(10(4)18)8-11(19)13(21)9(15)14(22-2)12(8)20/h3H,1-2H3.
What are the key properties of CID 87823918?
CID 87823918 has a molecular weight of 316.01 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87823918 is sourced from PubChem (CID 87823918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).