1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

C10H18F3NO — CID 103148034

IUPAC1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESNC(CCOCC(F)(F)F)CCC1CC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-15-6-5-9(14)4-3-8-1-2-8/h8-9H,1-7,14H2
InChIKeyXLTSTZIWVJPPGS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds7

About 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 103148034) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID103148034
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESNC(CCOCC(F)(F)F)CCC1CC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-15-6-5-9(14)4-3-8-1-2-8/h8-9H,1-7,14H2
InChIKeyXLTSTZIWVJPPGS-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 103148034) is 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine is NC(CCOCC(F)(F)F)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is XLTSTZIWVJPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)7-15-6-5-9(14)4-3-8-1-2-8/h8-9H,1-7,14H2.
What are the key properties of 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 103148034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).