3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine

C9H16F3N — CID 63226109

IUPAC3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
SMILESCC(NCCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C9H16F3N/c1-7(8(2)3-4-8)13-6-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyRFAFCLJZHVERGQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds4

About 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine

3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine (PubChem CID 63226109) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
PubChem CID63226109
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
SMILESCC(NCCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C9H16F3N/c1-7(8(2)3-4-8)13-6-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyRFAFCLJZHVERGQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine (CID 63226109) is 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine is CC(NCCC(F)(F)F)C1(C)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is RFAFCLJZHVERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(8(2)3-4-8)13-6-5-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 63226109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).