1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine

C6H6F7N — CID 175203003

IUPAC1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine
SMILESCC=CNC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7N/c1-2-3-14-6(12,13)4(7,8)5(9,10)11/h2-3,14H,1H3
InChIKeyBUBKPOHXLNQKAR-UHFFFAOYSA-N
MW225.11 g/mol
LogP2.90
Rot. Bonds3

About 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine

1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine (PubChem CID 175203003) has the molecular formula C6H6F7N and a molecular weight of 225.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine
PubChem CID175203003
Molecular FormulaC6H6F7N
Molecular Weight225.11 g/mol
Exact Mass225.04
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine
SMILESCC=CNC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7N/c1-2-3-14-6(12,13)4(7,8)5(9,10)11/h2-3,14H,1H3
InChIKeyBUBKPOHXLNQKAR-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine (CID 175203003) is 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine is CC=CNC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine?
The InChIKey is BUBKPOHXLNQKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7N/c1-2-3-14-6(12,13)4(7,8)5(9,10)11/h2-3,14H,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine?
1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine has a molecular weight of 225.11 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-prop-1-enylpropan-1-amine is sourced from PubChem (CID 175203003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).