6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine

C15H31F3N2O — CID 116535238

IUPAC6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C15H31F3N2O/c1-5-13(6-2)20(10-11-21-4)14(3,12-19)8-7-9-15(16,17)18/h13H,5-12,19H2,1-4H3
InChIKeyJCUKAZIRANUBSB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.57
Rot. Bonds11

About 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine

6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine (PubChem CID 116535238) has the molecular formula C15H31F3N2O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
PubChem CID116535238
Molecular FormulaC15H31F3N2O
Molecular Weight312.42 g/mol
Exact Mass312.24
IUPAC Name6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C15H31F3N2O/c1-5-13(6-2)20(10-11-21-4)14(3,12-19)8-7-9-15(16,17)18/h13H,5-12,19H2,1-4H3
InChIKeyJCUKAZIRANUBSB-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.57
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-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine (CID 116535238) is 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine is CCC(CC)N(CCOC)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine?
The InChIKey is JCUKAZIRANUBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O/c1-5-13(6-2)20(10-11-21-4)14(3,12-19)8-7-9-15(16,17)18/h13H,5-12,19H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine?
6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.57, 11 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-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine is sourced from PubChem (CID 116535238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).