N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine

C9H15F3N2 — CID 77110737

IUPACN'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine
SMILESNCC=CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)7-14(8-3-4-8)6-2-1-5-13/h1-2,8H,3-7,13H2
InChIKeyNYMLXOVJCZHGSE-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.53
Rot. Bonds5

About N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine

N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine (PubChem CID 77110737) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine
PubChem CID77110737
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine
SMILESNCC=CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)7-14(8-3-4-8)6-2-1-5-13/h1-2,8H,3-7,13H2
InChIKeyNYMLXOVJCZHGSE-UHFFFAOYSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine (CID 77110737) is N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine is NCC=CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine?
The InChIKey is NYMLXOVJCZHGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)7-14(8-3-4-8)6-2-1-5-13/h1-2,8H,3-7,13H2.
What are the key properties of N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine?
N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine has a molecular weight of 208.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2,2,2-trifluoroethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).