N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C5H11F3N2 — CID 61150079

IUPACN'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESNCCCNCC(F)(F)F
InChIInChI=1S/C5H11F3N2/c6-5(7,8)4-10-3-1-2-9/h10H,1-4,9H2
InChIKeyLINUZFDLGWCGBG-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.49
Rot. Bonds4

About N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 61150079) has the molecular formula C5H11F3N2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID61150079
Molecular FormulaC5H11F3N2
Molecular Weight156.15 g/mol
Exact Mass156.09
IUPAC NameN'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESNCCCNCC(F)(F)F
InChIInChI=1S/C5H11F3N2/c6-5(7,8)4-10-3-1-2-9/h10H,1-4,9H2
InChIKeyLINUZFDLGWCGBG-UHFFFAOYSA-N
XLogP0.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 61150079) is N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is NCCCNCC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is LINUZFDLGWCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2/c6-5(7,8)4-10-3-1-2-9/h10H,1-4,9H2.
What are the key properties of N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 156.15 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 61150079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).