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

C10H18F3NO — CID 81343650

IUPACN-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine
SMILESCOCC(NCCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO/c1-15-7-9(8-3-4-8)14-6-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyHSGVOGLCASKSBX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds7

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

N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 81343650) 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-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID81343650
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine
SMILESCOCC(NCCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO/c1-15-7-9(8-3-4-8)14-6-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyHSGVOGLCASKSBX-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 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 ≤ 52.34
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 N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine (CID 81343650) is N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine is COCC(NCCCC(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is HSGVOGLCASKSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-15-7-9(8-3-4-8)14-6-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 7 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-1-amine is sourced from PubChem (CID 81343650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).