1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane

C11H22F2N2 — CID 64870539

IUPAC1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane
SMILESCCC1(CC)CN(CC(F)F)CCCN1
InChIInChI=1S/C11H22F2N2/c1-3-11(4-2)9-15(8-10(12)13)7-5-6-14-11/h10,14H,3-9H2,1-2H3
InChIKeyUTASETXNJQLWJZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.11
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane

1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane (PubChem CID 64870539) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane
PubChem CID64870539
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane
SMILESCCC1(CC)CN(CC(F)F)CCCN1
InChIInChI=1S/C11H22F2N2/c1-3-11(4-2)9-15(8-10(12)13)7-5-6-14-11/h10,14H,3-9H2,1-2H3
InChIKeyUTASETXNJQLWJZ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane?
The IUPAC name of 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane (CID 64870539) is 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane is CCC1(CC)CN(CC(F)F)CCCN1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane?
The InChIKey is UTASETXNJQLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-3-11(4-2)9-15(8-10(12)13)7-5-6-14-11/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane?
1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane has a molecular weight of 220.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazepane is sourced from PubChem (CID 64870539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).