N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine

C11H20F5N — CID 11276983

IUPACN-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
SMILESCCCCN(CCCC)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5N/c1-3-5-7-17(8-6-4-2)9-10(12,13)11(14,15)16/h3-9H2,1-2H3
InChIKeyLLBDJBWFGKIATQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.09
Rot. Bonds8

About N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine

N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine (PubChem CID 11276983) has the molecular formula C11H20F5N and a molecular weight of 261.28 g/mol. Its IUPAC name is N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
PubChem CID11276983
Molecular FormulaC11H20F5N
Molecular Weight261.28 g/mol
Exact Mass261.15
IUPAC NameN-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
SMILESCCCCN(CCCC)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5N/c1-3-5-7-17(8-6-4-2)9-10(12,13)11(14,15)16/h3-9H2,1-2H3
InChIKeyLLBDJBWFGKIATQ-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
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 N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine?
The IUPAC name of N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine (CID 11276983) is N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine is CCCCN(CCCC)CC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine?
The InChIKey is LLBDJBWFGKIATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5N/c1-3-5-7-17(8-6-4-2)9-10(12,13)11(14,15)16/h3-9H2,1-2H3.
What are the key properties of N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine?
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine has a molecular weight of 261.28 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine is sourced from PubChem (CID 11276983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).