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

C8H17F3N2 — CID 43137302

IUPACN'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CCCN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-2-5-13(6-3-4-12)7-8(9,10)11/h2-7,12H2,1H3
InChIKeyYIHWRGHJWXKGKC-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.61
Rot. Bonds6

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

N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 43137302) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID43137302
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC NameN'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CCCN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-2-5-13(6-3-4-12)7-8(9,10)11/h2-7,12H2,1H3
InChIKeyYIHWRGHJWXKGKC-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 43137302) is N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCN(CCCN)CC(F)(F)F.
What is the InChIKey of N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is YIHWRGHJWXKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-2-5-13(6-3-4-12)7-8(9,10)11/h2-7,12H2,1H3.
What are the key properties of N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 43137302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).