2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C9H19F3N2 — CID 78974638

IUPAC2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN)N(CC)CC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-3-5-8(6-13)14(4-2)7-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyLZWCLGNLEHHMMS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.00
Rot. Bonds6

About 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 78974638) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID78974638
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(CN)N(CC)CC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-3-5-8(6-13)14(4-2)7-9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyLZWCLGNLEHHMMS-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 65233130
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898086

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 78974638) is 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCC(CN)N(CC)CC(F)(F)F.
What is the InChIKey of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is LZWCLGNLEHHMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-3-5-8(6-13)14(4-2)7-9(10,11)12/h8H,3-7,13H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 78974638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).