[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine

C9H16F3NO — CID 66023759

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-5-1-2-8(6-13)3-4-8/h1-7,13H2
InChIKeyUUNQBBUKQQUYRP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine (PubChem CID 66023759) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine
PubChem CID66023759
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-5-1-2-8(6-13)3-4-8/h1-7,13H2
InChIKeyUUNQBBUKQQUYRP-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
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]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine (CID 66023759) is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine is NCC1(CCCOCC(F)(F)F)CC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
The InChIKey is UUNQBBUKQQUYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-5-1-2-8(6-13)3-4-8/h1-7,13H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 6 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]cyclopropyl]methanamine is sourced from PubChem (CID 66023759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).