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

C12H23F3N2O — CID 55004198

IUPAC3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCOCCN(C(C)C1CC1)C(CCN)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9(10-3-4-10)17(7-8-18-2)11(5-6-16)12(13,14)15/h9-11H,3-8,16H2,1-2H3
InChIKeyRFYOONFLIKETME-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds8

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

3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (PubChem CID 55004198) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
PubChem CID55004198
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCOCCN(C(C)C1CC1)C(CCN)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-9(10-3-4-10)17(7-8-18-2)11(5-6-16)12(13,14)15/h9-11H,3-8,16H2,1-2H3
InChIKeyRFYOONFLIKETME-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
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-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The IUPAC name of 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (CID 55004198) is 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is COCCN(C(C)C1CC1)C(CCN)C(F)(F)F.
What is the InChIKey of 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The InChIKey is RFYOONFLIKETME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(10-3-4-10)17(7-8-18-2)11(5-6-16)12(13,14)15/h9-11H,3-8,16H2,1-2H3.
What are the key properties of 3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine has a molecular weight of 268.32 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-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is sourced from PubChem (CID 55004198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).