CID 67984584

C18H19BrF2N2 — CID 67984584

IUPAC—
SMILESCC1=NC2(N=C1)c1cc(Br)ccc1CC21CCC(C(F)F)CC1
InChIInChI=1S/C18H19BrF2N2/c1-11-10-22-18(23-11)15-8-14(19)3-2-13(15)9-17(18)6-4-12(5-7-17)16(20)21/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyGRZIPZITRXZIHG-UHFFFAOYSA-N
MW381.26 g/mol
LogP5.14
Rot. Bonds1

About CID 67984584

CID 67984584 (PubChem CID 67984584) has the molecular formula C18H19BrF2N2 and a molecular weight of 381.26 g/mol.

Molecular Properties

Compound NameCID 67984584
PubChem CID67984584
Molecular FormulaC18H19BrF2N2
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name—
SMILESCC1=NC2(N=C1)c1cc(Br)ccc1CC21CCC(C(F)F)CC1
InChIInChI=1S/C18H19BrF2N2/c1-11-10-22-18(23-11)15-8-14(19)3-2-13(15)9-17(18)6-4-12(5-7-17)16(20)21/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyGRZIPZITRXZIHG-UHFFFAOYSA-N
XLogP5.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 67984584?
The IUPAC name of CID 67984584 (CID 67984584) is not available.
What is the SMILES notation for CID 67984584?
The canonical SMILES for CID 67984584 is CC1=NC2(N=C1)c1cc(Br)ccc1CC21CCC(C(F)F)CC1.
What is the InChIKey of CID 67984584?
The InChIKey is GRZIPZITRXZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2N2/c1-11-10-22-18(23-11)15-8-14(19)3-2-13(15)9-17(18)6-4-12(5-7-17)16(20)21/h2-3,8,10,12,16H,4-7,9H2,1H3.
What are the key properties of CID 67984584?
CID 67984584 has a molecular weight of 381.26 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67984584 is sourced from PubChem (CID 67984584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).