3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane

C10H17F3N2 — CID 64869542

IUPAC3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESFC(F)(F)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)7-15-5-1-4-14-9(6-15)8-2-3-8/h8-9,14H,1-7H2
InChIKeyYHLYNSRAMABGIQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.62
Rot. Bonds2

About 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane

3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane (PubChem CID 64869542) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane
PubChem CID64869542
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane
SMILESFC(F)(F)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C10H17F3N2/c11-10(12,13)7-15-5-1-4-14-9(6-15)8-2-3-8/h8-9,14H,1-7H2
InChIKeyYHLYNSRAMABGIQ-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane (CID 64869542) is 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane is FC(F)(F)CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane?
The InChIKey is YHLYNSRAMABGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)7-15-5-1-4-14-9(6-15)8-2-3-8/h8-9,14H,1-7H2.
What are the key properties of 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane?
3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane has a molecular weight of 222.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-diazepane is sourced from PubChem (CID 64869542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).