2-cyclopropyl-3-(difluoromethoxy)propan-1-amine

C7H13F2NO — CID 84717025

IUPAC2-cyclopropyl-3-(difluoromethoxy)propan-1-amine
SMILESNCC(COC(F)F)C1CC1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-4-6(3-10)5-1-2-5/h5-7H,1-4,10H2
InChIKeyVRTUTYNNJHTQFE-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.21
Rot. Bonds5

About 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine

2-cyclopropyl-3-(difluoromethoxy)propan-1-amine (PubChem CID 84717025) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(difluoromethoxy)propan-1-amine
PubChem CID84717025
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-cyclopropyl-3-(difluoromethoxy)propan-1-amine
SMILESNCC(COC(F)F)C1CC1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-4-6(3-10)5-1-2-5/h5-7H,1-4,10H2
InChIKeyVRTUTYNNJHTQFE-UHFFFAOYSA-N
XLogP1.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine (CID 84717025) is 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine is NCC(COC(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine?
The InChIKey is VRTUTYNNJHTQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)11-4-6(3-10)5-1-2-5/h5-7H,1-4,10H2.
What are the key properties of 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine?
2-cyclopropyl-3-(difluoromethoxy)propan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(difluoromethoxy)propan-1-amine is sourced from PubChem (CID 84717025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).