N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine

C10H18F3NO — CID 115895246

IUPACN-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine
SMILESCOCC(NC(C)CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO/c1-7(5-10(11,12)13)14-9(6-15-2)8-3-4-8/h7-9,14H,3-6H2,1-2H3
InChIKeyZPULEIALMFMFHG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds6

About N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine

N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine (PubChem CID 115895246) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine
PubChem CID115895246
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine
SMILESCOCC(NC(C)CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO/c1-7(5-10(11,12)13)14-9(6-15-2)8-3-4-8/h7-9,14H,3-6H2,1-2H3
InChIKeyZPULEIALMFMFHG-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine (CID 115895246) is N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine is COCC(NC(C)CC(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is ZPULEIALMFMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(5-10(11,12)13)14-9(6-15-2)8-3-4-8/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine?
N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 115895246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).