3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane

C11H20F2N2 — CID 64869465

IUPAC3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane
SMILESCC1CCNC(C2CC2)CN1CC(F)F
InChIInChI=1S/C11H20F2N2/c1-8-4-5-14-10(9-2-3-9)6-15(8)7-11(12)13/h8-11,14H,2-7H2,1H3
InChIKeyDLJISOGPHIIKGA-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.71
Rot. Bonds3

About 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane

3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane (PubChem CID 64869465) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane
PubChem CID64869465
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane
SMILESCC1CCNC(C2CC2)CN1CC(F)F
InChIInChI=1S/C11H20F2N2/c1-8-4-5-14-10(9-2-3-9)6-15(8)7-11(12)13/h8-11,14H,2-7H2,1H3
InChIKeyDLJISOGPHIIKGA-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane (CID 64869465) is 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane is CC1CCNC(C2CC2)CN1CC(F)F.
What is the InChIKey of 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane?
The InChIKey is DLJISOGPHIIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-8-4-5-14-10(9-2-3-9)6-15(8)7-11(12)13/h8-11,14H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane?
3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane has a molecular weight of 218.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-difluoroethyl)-7-methyl-1,4-diazepane is sourced from PubChem (CID 64869465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).