4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine

C8H12F7NO — CID 157292288

IUPAC4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine
SMILESCC(N)CCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7NO/c1-5(16)2-3-17-4-6(9,10)7(11,12)8(13,14)15/h5H,2-4,16H2,1H3
InChIKeyBAYFLTNZNZHHKE-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.57
Rot. Bonds6

About 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine

4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine (PubChem CID 157292288) has the molecular formula C8H12F7NO and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine
PubChem CID157292288
Molecular FormulaC8H12F7NO
Molecular Weight271.18 g/mol
Exact Mass271.08
IUPAC Name4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine
SMILESCC(N)CCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7NO/c1-5(16)2-3-17-4-6(9,10)7(11,12)8(13,14)15/h5H,2-4,16H2,1H3
InChIKeyBAYFLTNZNZHHKE-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine?
The IUPAC name of 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine (CID 157292288) is 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine.
What is the SMILES notation for 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine?
The canonical SMILES for 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine is CC(N)CCOCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine?
The InChIKey is BAYFLTNZNZHHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F7NO/c1-5(16)2-3-17-4-6(9,10)7(11,12)8(13,14)15/h5H,2-4,16H2,1H3.
What are the key properties of 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine?
4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine has a molecular weight of 271.18 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,4-heptafluorobutoxy)butan-2-amine is sourced from PubChem (CID 157292288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).