1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane

C14H20F2N2 — CID 64943890

IUPAC1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(c2ccc(F)cc2F)CCCN1
InChIInChI=1S/C14H20F2N2/c1-2-4-12-10-18(8-3-7-17-12)14-6-5-11(15)9-13(14)16/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyBRTFUDCOFYZBKX-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.93
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane

1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane (PubChem CID 64943890) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane
PubChem CID64943890
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane
SMILESCCCC1CN(c2ccc(F)cc2F)CCCN1
InChIInChI=1S/C14H20F2N2/c1-2-4-12-10-18(8-3-7-17-12)14-6-5-11(15)9-13(14)16/h5-6,9,12,17H,2-4,7-8,10H2,1H3
InChIKeyBRTFUDCOFYZBKX-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane?
The IUPAC name of 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane (CID 64943890) is 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane is CCCC1CN(c2ccc(F)cc2F)CCCN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane?
The InChIKey is BRTFUDCOFYZBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-4-12-10-18(8-3-7-17-12)14-6-5-11(15)9-13(14)16/h5-6,9,12,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane?
1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane has a molecular weight of 254.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane is sourced from PubChem (CID 64943890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).