CID 164906823

C7H5BF5O — CID 164906823

IUPAC—
SMILESC/C(F)=C(F)\C([B]O)=C(F)/C(F)=C/F
InChIInChI=1S/C7H5BF5O/c1-3(10)6(12)5(8-14)7(13)4(11)2-9/h2,14H,1H3/b4-2-,6-3-,7-5-
InChIKeyIBJUIBAPNRLXIC-JVIOOGJESA-N
MW210.92 g/mol
LogP2.73
Rot. Bonds3

About CID 164906823

CID 164906823 (PubChem CID 164906823) has the molecular formula C7H5BF5O and a molecular weight of 210.92 g/mol.

Molecular Properties

Compound NameCID 164906823
PubChem CID164906823
Molecular FormulaC7H5BF5O
Molecular Weight210.92 g/mol
Exact Mass211.04
IUPAC Name—
SMILESC/C(F)=C(F)\C([B]O)=C(F)/C(F)=C/F
InChIInChI=1S/C7H5BF5O/c1-3(10)6(12)5(8-14)7(13)4(11)2-9/h2,14H,1H3/b4-2-,6-3-,7-5-
InChIKeyIBJUIBAPNRLXIC-JVIOOGJESA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.92
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2,3,4,5,5-hexafluoropenta-1,3-diene
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1,1,2,3,4-pentafluoropenta-1,3-diene
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(E)-2,3-difluorobut-2-ene
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(1Z,3Z,5Z)-1,2,4,5,6-pentafluorohexa-1,3,5-triene-3-sulfinate
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Frequently Asked Questions

What is the IUPAC name of CID 164906823?
The IUPAC name of CID 164906823 (CID 164906823) is not available.
What is the SMILES notation for CID 164906823?
The canonical SMILES for CID 164906823 is C/C(F)=C(F)\C([B]O)=C(F)/C(F)=C/F.
What is the InChIKey of CID 164906823?
The InChIKey is IBJUIBAPNRLXIC-JVIOOGJESA-N. The full InChI is InChI=1S/C7H5BF5O/c1-3(10)6(12)5(8-14)7(13)4(11)2-9/h2,14H,1H3/b4-2-,6-3-,7-5-.
What are the key properties of CID 164906823?
CID 164906823 has a molecular weight of 210.92 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164906823 is sourced from PubChem (CID 164906823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).