6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane

C9H18F2N2 — CID 58115761

IUPAC6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCN(C)CC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2)13-5-4-12(3)6-9(10,11)7-13/h8H,4-7H2,1-3H3
InChIKeyGNQPKBPMYRAXLJ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.28
Rot. Bonds1

About 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane

6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane (PubChem CID 58115761) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane
PubChem CID58115761
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCN(C)CC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2)13-5-4-12(3)6-9(10,11)7-13/h8H,4-7H2,1-3H3
InChIKeyGNQPKBPMYRAXLJ-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane?
The IUPAC name of 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane (CID 58115761) is 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane?
The canonical SMILES for 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane is CC(C)N1CCN(C)CC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane?
The InChIKey is GNQPKBPMYRAXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-8(2)13-5-4-12(3)6-9(10,11)7-13/h8H,4-7H2,1-3H3.
What are the key properties of 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane?
6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane has a molecular weight of 192.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-methyl-4-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 58115761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).