CID 177445100

C36H20Cl4F2N — CID 177445100

IUPAC—
SMILESFc1cncc(F)c1[C](c1c(Cl)ccc(-c2ccccc2)c1Cl)c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl
InChIInChI=1S/C36H20Cl4F2N/c37-26-17-16-24(21-10-4-1-5-11-21)35(39)31(26)34(33-28(41)19-43-20-29(33)42)32-27(38)18-25(22-12-6-2-7-13-22)30(36(32)40)23-14-8-3-9-15-23/h1-20H
InChIKeyJRZQCYAMRKEXKW-UHFFFAOYSA-N
MW646.37 g/mol
LogP11.99
Rot. Bonds6

About CID 177445100

CID 177445100 (PubChem CID 177445100) has the molecular formula C36H20Cl4F2N and a molecular weight of 646.37 g/mol.

Molecular Properties

Compound NameCID 177445100
PubChem CID177445100
Molecular FormulaC36H20Cl4F2N
Molecular Weight646.37 g/mol
Exact Mass644.03
IUPAC Name—
SMILESFc1cncc(F)c1[C](c1c(Cl)ccc(-c2ccccc2)c1Cl)c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl
InChIInChI=1S/C36H20Cl4F2N/c37-26-17-16-24(21-10-4-1-5-11-21)35(39)31(26)34(33-28(41)19-43-20-29(33)42)32-27(38)18-25(22-12-6-2-7-13-22)30(36(32)40)23-14-8-3-9-15-23/h1-20H
InChIKeyJRZQCYAMRKEXKW-UHFFFAOYSA-N
XLogP11.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.37
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18364130
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Frequently Asked Questions

What is the IUPAC name of CID 177445100?
The IUPAC name of CID 177445100 (CID 177445100) is not available.
What is the SMILES notation for CID 177445100?
The canonical SMILES for CID 177445100 is Fc1cncc(F)c1[C](c1c(Cl)ccc(-c2ccccc2)c1Cl)c1c(Cl)cc(-c2ccccc2)c(-c2ccccc2)c1Cl.
What is the InChIKey of CID 177445100?
The InChIKey is JRZQCYAMRKEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20Cl4F2N/c37-26-17-16-24(21-10-4-1-5-11-21)35(39)31(26)34(33-28(41)19-43-20-29(33)42)32-27(38)18-25(22-12-6-2-7-13-22)30(36(32)40)23-14-8-3-9-15-23/h1-20H.
What are the key properties of CID 177445100?
CID 177445100 has a molecular weight of 646.37 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177445100 is sourced from PubChem (CID 177445100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).