4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine

C8H15F3N2 — CID 134441898

IUPAC4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine
SMILESC=C(CCCN)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(3-2-5-12)13-6-4-8(9,10)11/h13H,1-6,12H2
InChIKeyPOJYPPKRLGZKFT-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.78
Rot. Bonds6

About 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine

4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine (PubChem CID 134441898) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine
PubChem CID134441898
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine
SMILESC=C(CCCN)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(3-2-5-12)13-6-4-8(9,10)11/h13H,1-6,12H2
InChIKeyPOJYPPKRLGZKFT-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine?
The IUPAC name of 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine (CID 134441898) is 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine.
What is the SMILES notation for 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine?
The canonical SMILES for 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine is C=C(CCCN)NCCC(F)(F)F.
What is the InChIKey of 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine?
The InChIKey is POJYPPKRLGZKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(3-2-5-12)13-6-4-8(9,10)11/h13H,1-6,12H2.
What are the key properties of 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine?
4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine is sourced from PubChem (CID 134441898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).