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

C11H21F3N2 — CID 62569960

IUPAC1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(CCC)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-4-6-15-8-10(3)16(7-5-2)9-11(12,13)14/h4,10,15H,1,5-9H2,2-3H3
InChIKeyYFXOXQKMAITQFO-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.42
Rot. Bonds8

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

1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569960) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569960
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESC=CCNCC(C)N(CCC)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-4-6-15-8-10(3)16(7-5-2)9-11(12,13)14/h4,10,15H,1,5-9H2,2-3H3
InChIKeyYFXOXQKMAITQFO-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569960) is 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is C=CCNCC(C)N(CCC)CC(F)(F)F.
What is the InChIKey of 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is YFXOXQKMAITQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-6-15-8-10(3)16(7-5-2)9-11(12,13)14/h4,10,15H,1,5-9H2,2-3H3.
What are the key properties of 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-prop-2-enyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).