2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C10H19F3N2 — CID 62569764

IUPAC2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(CC)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-4-6-14-7-9(3)15(5-2)8-10(11,12)13/h4,9,14H,1,5-8H2,2-3H3
InChIKeyVTQQPKSNZLTLCK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.03
Rot. Bonds7

About 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569764) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569764
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(CC)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-4-6-14-7-9(3)15(5-2)8-10(11,12)13/h4,9,14H,1,5-8H2,2-3H3
InChIKeyVTQQPKSNZLTLCK-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
CID 142366002
1-(3-fluoropropyl)-N-prop-2-enylazetidin-3-amine
CID 145102324
1,1-difluoro-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 156464927
N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554000
N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555312
N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555486
N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555964
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62556969
N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560286
2-N-propan-2-yl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568662
2-N-methyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569360
1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569960

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569764) is 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is C=CCNCC(C)N(CC)CC(F)(F)F.
What is the InChIKey of 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is VTQQPKSNZLTLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-4-6-14-7-9(3)15(5-2)8-10(11,12)13/h4,9,14H,1,5-8H2,2-3H3.
What are the key properties of 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).