3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine

C10H19F2NO — CID 165462019

IUPAC3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine
SMILESC=CC(C)OCC(F)(F)CNCCC
InChIInChI=1S/C10H19F2NO/c1-4-6-13-7-10(11,12)8-14-9(3)5-2/h5,9,13H,2,4,6-8H2,1,3H3
InChIKeyIPCJKFIBSBPROW-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.21
Rot. Bonds8

About 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine

3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine (PubChem CID 165462019) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine
PubChem CID165462019
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine
SMILESC=CC(C)OCC(F)(F)CNCCC
InChIInChI=1S/C10H19F2NO/c1-4-6-13-7-10(11,12)8-14-9(3)5-2/h5,9,13H,2,4,6-8H2,1,3H3
InChIKeyIPCJKFIBSBPROW-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine?
The IUPAC name of 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine (CID 165462019) is 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine.
What is the SMILES notation for 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine?
The canonical SMILES for 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine is C=CC(C)OCC(F)(F)CNCCC.
What is the InChIKey of 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine?
The InChIKey is IPCJKFIBSBPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-6-13-7-10(11,12)8-14-9(3)5-2/h5,9,13H,2,4,6-8H2,1,3H3.
What are the key properties of 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine?
3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxy-2,2-difluoro-N-propylpropan-1-amine is sourced from PubChem (CID 165462019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).