1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine

C8H14F3NO — CID 66026866

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine
SMILESNC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-1-2-7(12)3-4-7/h1-6,12H2
InChIKeyBNXDJZRVKUJCNU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine

1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine (PubChem CID 66026866) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine
PubChem CID66026866
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine
SMILESNC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-1-2-7(12)3-4-7/h1-6,12H2
InChIKeyBNXDJZRVKUJCNU-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
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-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine (CID 66026866) is 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine is NC1(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine?
The InChIKey is BNXDJZRVKUJCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-1-2-7(12)3-4-7/h1-6,12H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine?
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine is sourced from PubChem (CID 66026866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).