2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine

C9H15F3N2 — CID 129247523

IUPAC2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine
SMILESNC1CC2(C1)CC(NCC(F)(F)F)C2
InChIInChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-3-8(4-7)1-6(13)2-8/h6-7,14H,1-5,13H2
InChIKeyPJNUJBSHPZYZTL-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.41
Rot. Bonds2

About 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine

2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine (PubChem CID 129247523) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine
PubChem CID129247523
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine
SMILESNC1CC2(C1)CC(NCC(F)(F)F)C2
InChIInChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-3-8(4-7)1-6(13)2-8/h6-7,14H,1-5,13H2
InChIKeyPJNUJBSHPZYZTL-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine (CID 129247523) is 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine is NC1CC2(C1)CC(NCC(F)(F)F)C2.
What is the InChIKey of 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine?
The InChIKey is PJNUJBSHPZYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-3-8(4-7)1-6(13)2-8/h6-7,14H,1-5,13H2.
What are the key properties of 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine?
2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine has a molecular weight of 208.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine is sourced from PubChem (CID 129247523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).