1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane

C17H18F2N2 — CID 64944507

IUPAC1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
SMILESFc1cccc(F)c1N1CCCNC(c2ccccc2)C1
InChIInChI=1S/C17H18F2N2/c18-14-8-4-9-15(19)17(14)21-11-5-10-20-16(12-21)13-6-2-1-3-7-13/h1-4,6-9,16,20H,5,10-12H2
InChIKeyGCTCGCCYQCMFQF-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.51
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane

1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane (PubChem CID 64944507) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
PubChem CID64944507
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
SMILESFc1cccc(F)c1N1CCCNC(c2ccccc2)C1
InChIInChI=1S/C17H18F2N2/c18-14-8-4-9-15(19)17(14)21-11-5-10-20-16(12-21)13-6-2-1-3-7-13/h1-4,6-9,16,20H,5,10-12H2
InChIKeyGCTCGCCYQCMFQF-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane?
The IUPAC name of 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane (CID 64944507) is 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane is Fc1cccc(F)c1N1CCCNC(c2ccccc2)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane?
The InChIKey is GCTCGCCYQCMFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c18-14-8-4-9-15(19)17(14)21-11-5-10-20-16(12-21)13-6-2-1-3-7-13/h1-4,6-9,16,20H,5,10-12H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane?
1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane has a molecular weight of 288.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane is sourced from PubChem (CID 64944507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).