3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine

C7H15F2NO — CID 114782799

IUPAC3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(2)10-4-3-5-11-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyRSLFSMMMHVAWND-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.61
Rot. Bonds6

About 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine

3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 114782799) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine
PubChem CID114782799
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(2)10-4-3-5-11-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyRSLFSMMMHVAWND-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.61
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 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine (CID 114782799) is 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is RSLFSMMMHVAWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-6(2)10-4-3-5-11-7(8)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine?
3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114782799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).