1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane

C10H15F3N2 — CID 176694767

IUPAC1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESFC(F)(F)CN1CCCN(C2=CC2)CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)8-14-4-1-5-15(7-6-14)9-2-3-9/h2H,1,3-8H2
InChIKeyDIDFWPZRNYSOTR-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.84
Rot. Bonds2

About 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane

1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane (PubChem CID 176694767) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane
PubChem CID176694767
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESFC(F)(F)CN1CCCN(C2=CC2)CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)8-14-4-1-5-15(7-6-14)9-2-3-9/h2H,1,3-8H2
InChIKeyDIDFWPZRNYSOTR-UHFFFAOYSA-N
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
The IUPAC name of 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane (CID 176694767) is 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane.
What is the SMILES notation for 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
The canonical SMILES for 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane is FC(F)(F)CN1CCCN(C2=CC2)CC1.
What is the InChIKey of 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
The InChIKey is DIDFWPZRNYSOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)8-14-4-1-5-15(7-6-14)9-2-3-9/h2H,1,3-8H2.
What are the key properties of 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane?
1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane has a molecular weight of 220.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropen-1-yl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane is sourced from PubChem (CID 176694767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).