6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine

C13H25F3N2O — CID 116535197

IUPAC6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCN(CC1CCCO1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-12(10-17,6-4-7-13(14,15)16)18(2)9-11-5-3-8-19-11/h11H,3-10,17H2,1-2H3
InChIKeyNHGUOCZLBLNDFL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds7

About 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine

6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (PubChem CID 116535197) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
PubChem CID116535197
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCN(CC1CCCO1)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-12(10-17,6-4-7-13(14,15)16)18(2)9-11-5-3-8-19-11/h11H,3-10,17H2,1-2H3
InChIKeyNHGUOCZLBLNDFL-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (CID 116535197) is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is CN(CC1CCCO1)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is NHGUOCZLBLNDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(10-17,6-4-7-13(14,15)16)18(2)9-11-5-3-8-19-11/h11H,3-10,17H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 116535197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).