3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine

C11H23F3N2O — CID 55001233

IUPAC3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCCC(C)N(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-9(2)16(7-8-17-3)10(5-6-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3
InChIKeyHHKVFKMAZFHZMG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds8

About 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine

3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (PubChem CID 55001233) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
PubChem CID55001233
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCCC(C)N(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-9(2)16(7-8-17-3)10(5-6-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3
InChIKeyHHKVFKMAZFHZMG-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (CID 55001233) is 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is CCC(C)N(CCOC)C(CCN)C(F)(F)F.
What is the InChIKey of 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The InChIKey is HHKVFKMAZFHZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-9(2)16(7-8-17-3)10(5-6-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is sourced from PubChem (CID 55001233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).