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

C8H17F3N2 — CID 61151160

IUPACN'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)NCCCNCC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-7(2)13-5-3-4-12-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyYFHVOIQHNAXYIM-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.53
Rot. Bonds6

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

N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 61151160) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID61151160
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC NameN'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)NCCCNCC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-7(2)13-5-3-4-12-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyYFHVOIQHNAXYIM-UHFFFAOYSA-N
XLogP1.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.53
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'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 61151160) is N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC(C)NCCCNCC(F)(F)F.
What is the InChIKey of N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is YFHVOIQHNAXYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-7(2)13-5-3-4-12-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3.
What are the key properties of N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 61151160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).