7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine

C6H8F2N2 — CID 89251616

IUPAC7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SMILESFC(F)C1=CC=NCCN1
InChIInChI=1S/C6H8F2N2/c7-6(8)5-1-2-9-3-4-10-5/h1-2,6,10H,3-4H2
InChIKeyWMCMGGHPECODHS-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.81
Rot. Bonds1

About 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine

7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine (PubChem CID 89251616) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine.

Molecular Properties

Compound Name7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine
PubChem CID89251616
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SMILESFC(F)C1=CC=NCCN1
InChIInChI=1S/C6H8F2N2/c7-6(8)5-1-2-9-3-4-10-5/h1-2,6,10H,3-4H2
InChIKeyWMCMGGHPECODHS-UHFFFAOYSA-N
XLogP0.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The IUPAC name of 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CID 89251616) is 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine.
What is the SMILES notation for 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The canonical SMILES for 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine is FC(F)C1=CC=NCCN1.
What is the InChIKey of 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The InChIKey is WMCMGGHPECODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)5-1-2-9-3-4-10-5/h1-2,6,10H,3-4H2.
What are the key properties of 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine has a molecular weight of 146.14 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2,3-dihydro-1H-1,4-diazepine is sourced from PubChem (CID 89251616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).