3,3,4,4,5,5,5-heptafluoropentan-2-amine

C5H6F7N — CID 57171354

IUPAC3,3,4,4,5,5,5-heptafluoropentan-2-amine
SMILESCC(N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F7N/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2H,13H2,1H3
InChIKeyVYXXEPNGYRIBCL-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.17
Rot. Bonds2

About 3,3,4,4,5,5,5-heptafluoropentan-2-amine

3,3,4,4,5,5,5-heptafluoropentan-2-amine (PubChem CID 57171354) has the molecular formula C5H6F7N and a molecular weight of 213.10 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentan-2-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentan-2-amine
PubChem CID57171354
Molecular FormulaC5H6F7N
Molecular Weight213.10 g/mol
Exact Mass213.04
IUPAC Name3,3,4,4,5,5,5-heptafluoropentan-2-amine
SMILESCC(N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F7N/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2H,13H2,1H3
InChIKeyVYXXEPNGYRIBCL-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoropentan-2-amine?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentan-2-amine (CID 57171354) is 3,3,4,4,5,5,5-heptafluoropentan-2-amine.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentan-2-amine?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentan-2-amine is CC(N)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentan-2-amine?
The InChIKey is VYXXEPNGYRIBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F7N/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2H,13H2,1H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropentan-2-amine?
3,3,4,4,5,5,5-heptafluoropentan-2-amine has a molecular weight of 213.10 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentan-2-amine is sourced from PubChem (CID 57171354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).