2,2,3,3,4,4,5,5-octafluoropentan-1-amine

C5H5F8N — CID 13308385

IUPAC2,2,3,3,4,4,5,5-octafluoropentan-1-amine
SMILESNCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H5F8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1,14H2
InChIKeyQVOJCUNXAFRGOD-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.12
Rot. Bonds4

About 2,2,3,3,4,4,5,5-octafluoropentan-1-amine

2,2,3,3,4,4,5,5-octafluoropentan-1-amine (PubChem CID 13308385) has the molecular formula C5H5F8N and a molecular weight of 231.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentan-1-amine
PubChem CID13308385
Molecular FormulaC5H5F8N
Molecular Weight231.09 g/mol
Exact Mass231.03
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentan-1-amine
SMILESNCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H5F8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1,14H2
InChIKeyQVOJCUNXAFRGOD-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.12
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 2,2,3,3,4,4,5,5-octafluoropentan-1-amine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentan-1-amine (CID 13308385) is 2,2,3,3,4,4,5,5-octafluoropentan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentan-1-amine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentan-1-amine is NCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentan-1-amine?
The InChIKey is QVOJCUNXAFRGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F8N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1,14H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentan-1-amine?
2,2,3,3,4,4,5,5-octafluoropentan-1-amine has a molecular weight of 231.09 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentan-1-amine is sourced from PubChem (CID 13308385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).