4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine

C10H18F3N — CID 81343738

IUPAC4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine
SMILESCC(NCCCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C10H18F3N/c1-8(9(2)5-6-9)14-7-3-4-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyBFXNXHNFUXQFPS-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine

4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine (PubChem CID 81343738) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine
PubChem CID81343738
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine
SMILESCC(NCCCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C10H18F3N/c1-8(9(2)5-6-9)14-7-3-4-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyBFXNXHNFUXQFPS-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine (CID 81343738) is 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine is CC(NCCCC(F)(F)F)C1(C)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine?
The InChIKey is BFXNXHNFUXQFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(9(2)5-6-9)14-7-3-4-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-1-amine is sourced from PubChem (CID 81343738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).