CID 67984529

C18H18BrF3N2 — CID 67984529

IUPAC—
SMILESCC1=NC2(N=C1)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H18BrF3N2/c1-11-10-23-17(24-11)15-8-14(19)3-2-12(15)9-16(17)6-4-13(5-7-16)18(20,21)22/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeySLOYMRRZDRJEGZ-UHFFFAOYSA-N
MW399.25 g/mol
LogP5.44
Rot. Bonds

About CID 67984529

CID 67984529 (PubChem CID 67984529) has the molecular formula C18H18BrF3N2 and a molecular weight of 399.25 g/mol.

Molecular Properties

Compound NameCID 67984529
PubChem CID67984529
Molecular FormulaC18H18BrF3N2
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC Name—
SMILESCC1=NC2(N=C1)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H18BrF3N2/c1-11-10-23-17(24-11)15-8-14(19)3-2-12(15)9-16(17)6-4-13(5-7-16)18(20,21)22/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeySLOYMRRZDRJEGZ-UHFFFAOYSA-N
XLogP5.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 67984529?
The IUPAC name of CID 67984529 (CID 67984529) is not available.
What is the SMILES notation for CID 67984529?
The canonical SMILES for CID 67984529 is CC1=NC2(N=C1)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1.
What is the InChIKey of CID 67984529?
The InChIKey is SLOYMRRZDRJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N2/c1-11-10-23-17(24-11)15-8-14(19)3-2-12(15)9-16(17)6-4-13(5-7-16)18(20,21)22/h2-3,8,10,13H,4-7,9H2,1H3.
What are the key properties of CID 67984529?
CID 67984529 has a molecular weight of 399.25 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67984529 is sourced from PubChem (CID 67984529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).