2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C11H21F3N2 — CID 114996635

IUPAC2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)(CN)C1CC1
InChIInChI=1S/C11H21F3N2/c1-3-6-16(8-11(12,13)14)10(2,7-15)9-4-5-9/h9H,3-8,15H2,1-2H3
InChIKeyQSSCPFPWLGUCDW-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds6

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

2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 114996635) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID114996635
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)(CN)C1CC1
InChIInChI=1S/C11H21F3N2/c1-3-6-16(8-11(12,13)14)10(2,7-15)9-4-5-9/h9H,3-8,15H2,1-2H3
InChIKeyQSSCPFPWLGUCDW-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 114996635) is 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CC(F)(F)F)C(C)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is QSSCPFPWLGUCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-6-16(8-11(12,13)14)10(2,7-15)9-4-5-9/h9H,3-8,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 114996635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).