N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C9H19F3N2O — CID 61491373

IUPACN'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCN(CCN)CCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-14(6-4-13)5-3-7-15-8-9(10,11)12/h2-8,13H2,1H3
InChIKeyRCALQOHZXAVCTL-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.24
Rot. Bonds8

About N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 61491373) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID61491373
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCCN(CCN)CCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-14(6-4-13)5-3-7-15-8-9(10,11)12/h2-8,13H2,1H3
InChIKeyRCALQOHZXAVCTL-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Aminoethyl)(3-methoxypropyl)methylamine
CID 54595302
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
CID 45792290
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491337
N'-methyl-N-propyl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65804100
1-(2,2-Difluoro-3-methoxypropyl)piperazine
CID 68013394
2,2-difluoro-N-methyl-3-(4-piperazin-1-ylbutoxy)propan-1-amine;ethane
CID 142386155
N'-[3-(2,2-difluoro-2-phosphanylethoxy)propyl]-N,N'-dimethylethane-1,2-diamine
CID 144867809
1-[2-Methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 144867858
3,3,3-trifluoro-2-N-methyl-2-N-(oxan-4-yl)propane-1,2-diamine
CID 43752762
1-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961613
N,N,2,2-tetramethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 54961709
1-N,1-N,3-trimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 54961716

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 61491373) is N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CCN(CCN)CCCOCC(F)(F)F.
What is the InChIKey of N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is RCALQOHZXAVCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-14(6-4-13)5-3-7-15-8-9(10,11)12/h2-8,13H2,1H3.
What are the key properties of N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 61491373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).