3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane

C11H19F3N2 — CID 64870331

IUPAC3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
SMILESFC(F)(F)CCN1CCCNC(C2CC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-7-16-6-1-5-15-10(8-16)9-2-3-9/h9-10,15H,1-8H2
InChIKeyZAUXOPKULUEJKN-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds3

About 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane

3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane (PubChem CID 64870331) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
PubChem CID64870331
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
SMILESFC(F)(F)CCN1CCCNC(C2CC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)4-7-16-6-1-5-15-10(8-16)9-2-3-9/h9-10,15H,1-8H2
InChIKeyZAUXOPKULUEJKN-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 75383148
CID 75383148
CID 64869543
CID 64869543
CID 131969265
CID 131969265
CID 142800310
CID 142800310
CID 172103542
CID 172103542
CID 172103558
CID 172103558
CID 172700839
CID 172700839
CID 172700840
CID 172700840
CID 172700841
CID 172700841
CID 172701998
CID 172701998
CID 172701999
CID 172701999
CID 172717065
CID 172717065

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane (CID 64870331) is 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane is FC(F)(F)CCN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
The InChIKey is ZAUXOPKULUEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)4-7-16-6-1-5-15-10(8-16)9-2-3-9/h9-10,15H,1-8H2.
What are the key properties of 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane?
3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane has a molecular weight of 236.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane is sourced from PubChem (CID 64870331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).