2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine

C9H13F6NO — CID 102723351

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-3-4-16-5-6(2)17-7(8(10,11)12)9(13,14)15/h3,6-7,16H,1,4-5H2,2H3
InChIKeyUTUABZOGMVNJMV-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.66
Rot. Bonds6

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine (PubChem CID 102723351) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine
PubChem CID102723351
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-3-4-16-5-6(2)17-7(8(10,11)12)9(13,14)15/h3,6-7,16H,1,4-5H2,2H3
InChIKeyUTUABZOGMVNJMV-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.66
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 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine (CID 102723351) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine?
The InChIKey is UTUABZOGMVNJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-3-4-16-5-6(2)17-7(8(10,11)12)9(13,14)15/h3,6-7,16H,1,4-5H2,2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine has a molecular weight of 265.20 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 102723351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).