(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine

C9H15F3N4 — CID 144731122

IUPAC(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine
SMILESC/C=C(N)\C=C(N)/C(N)=C/C(N)C(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-2-5(13)3-6(14)7(15)4-8(16)9(10,11)12/h2-4,8H,13-16H2,1H3/b5-2+,6-3+,7-4-
InChIKeyGBPFLTVNMWGFLL-YOPFJTCPSA-N
MW236.24 g/mol
LogP0.42
Rot. Bonds3

About (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine

(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine (PubChem CID 144731122) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine.

Molecular Properties

Compound Name(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine
PubChem CID144731122
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine
SMILESC/C=C(N)\C=C(N)/C(N)=C/C(N)C(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-2-5(13)3-6(14)7(15)4-8(16)9(10,11)12/h2-4,8H,13-16H2,1H3/b5-2+,6-3+,7-4-
InChIKeyGBPFLTVNMWGFLL-YOPFJTCPSA-N
XLogP0.42
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine 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

(2E,4Z)-3-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
CID 163606036
(3Z,5Z)-1,1,1-Trifluoro-N3-methylenehepta-3,5-diene-2,3-diamine
CID 72206905
(2S,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336948
(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336949
(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine
CID 142251307
(Z)-5,5,5-trifluoropent-2-ene-2,4-diamine
CID 162564212
(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene-1,2-diamine
CID 162616648

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine?
The IUPAC name of (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine (CID 144731122) is (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine.
What is the SMILES notation for (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine?
The canonical SMILES for (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine is C/C=C(N)\C=C(N)/C(N)=C/C(N)C(F)(F)F.
What is the InChIKey of (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine?
The InChIKey is GBPFLTVNMWGFLL-YOPFJTCPSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-2-5(13)3-6(14)7(15)4-8(16)9(10,11)12/h2-4,8H,13-16H2,1H3/b5-2+,6-3+,7-4-.
What are the key properties of (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine?
(3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine has a molecular weight of 236.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E)-1,1,1-trifluoronona-3,5,7-triene-2,4,5,7-tetramine is sourced from PubChem (CID 144731122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).