1-(2,2-difluoroethyl)-1,3-diazepine

C7H8F2N2 — CID 172688766

IUPAC1-(2,2-difluoroethyl)-1,3-diazepine
SMILESFC(F)CN1C=CC=CN=C1
InChIInChI=1S/C7H8F2N2/c8-7(9)5-11-4-2-1-3-10-6-11/h1-4,6-7H,5H2
InChIKeyBJSUXDKVGWZOMN-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.62
Rot. Bonds2

About 1-(2,2-difluoroethyl)-1,3-diazepine

1-(2,2-difluoroethyl)-1,3-diazepine (PubChem CID 172688766) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1,3-diazepine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1,3-diazepine
PubChem CID172688766
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name1-(2,2-difluoroethyl)-1,3-diazepine
SMILESFC(F)CN1C=CC=CN=C1
InChIInChI=1S/C7H8F2N2/c8-7(9)5-11-4-2-1-3-10-6-11/h1-4,6-7H,5H2
InChIKeyBJSUXDKVGWZOMN-UHFFFAOYSA-N
XLogP1.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1,3-diazepine?
The IUPAC name of 1-(2,2-difluoroethyl)-1,3-diazepine (CID 172688766) is 1-(2,2-difluoroethyl)-1,3-diazepine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1,3-diazepine?
The canonical SMILES for 1-(2,2-difluoroethyl)-1,3-diazepine is FC(F)CN1C=CC=CN=C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1,3-diazepine?
The InChIKey is BJSUXDKVGWZOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c8-7(9)5-11-4-2-1-3-10-6-11/h1-4,6-7H,5H2.
What are the key properties of 1-(2,2-difluoroethyl)-1,3-diazepine?
1-(2,2-difluoroethyl)-1,3-diazepine has a molecular weight of 158.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1,3-diazepine is sourced from PubChem (CID 172688766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).