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

C9H19F3N2 — CID 60892925

IUPAC1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-4-5-8(2,13)6-14(3)7-9(10,11)12/h4-7,13H2,1-3H3
InChIKeyACKYSZBQYXAGMS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.00
Rot. Bonds5

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

1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 60892925) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID60892925
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-4-5-8(2,13)6-14(3)7-9(10,11)12/h4-7,13H2,1-3H3
InChIKeyACKYSZBQYXAGMS-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 60892925) is 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is CCCC(C)(N)CN(C)CC(F)(F)F.
What is the InChIKey of 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is ACKYSZBQYXAGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-4-5-8(2,13)6-14(3)7-9(10,11)12/h4-7,13H2,1-3H3.
What are the key properties of 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 60892925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).