N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine

C6H8F7N — CID 54573643

IUPACN-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
SMILESCCNCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7N/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h14H,2-3H2,1H3
InChIKeyKMIMRUFRWCAQJQ-UHFFFAOYSA-N
MW227.12 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine

N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine (PubChem CID 54573643) has the molecular formula C6H8F7N and a molecular weight of 227.12 g/mol. Its IUPAC name is N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
PubChem CID54573643
Molecular FormulaC6H8F7N
Molecular Weight227.12 g/mol
Exact Mass227.05
IUPAC NameN-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
SMILESCCNCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7N/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h14H,2-3H2,1H3
InChIKeyKMIMRUFRWCAQJQ-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
The IUPAC name of N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine (CID 54573643) is N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine.
What is the SMILES notation for N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
The canonical SMILES for N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine is CCNCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
The InChIKey is KMIMRUFRWCAQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F7N/c1-2-14-3-4(7,8)5(9,10)6(11,12)13/h14H,2-3H2,1H3.
What are the key properties of N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine has a molecular weight of 227.12 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine is sourced from PubChem (CID 54573643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).