N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine

C8H6F13NO — CID 137474702

IUPACN,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N(F)F)C(F)(F)F
InChIInChI=1S/C8H6F13NO/c9-3(7(14,15)16)5(10,11)1-23-2-6(12,13)4(22(20)21)8(17,18)19/h3-4H,1-2H2
InChIKeyUAFNFVNBAAGYOO-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.18
Rot. Bonds7

About N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine

N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine (PubChem CID 137474702) has the molecular formula C8H6F13NO and a molecular weight of 379.12 g/mol. Its IUPAC name is N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine.

Molecular Properties

Compound NameN,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine
PubChem CID137474702
Molecular FormulaC8H6F13NO
Molecular Weight379.12 g/mol
Exact Mass379.02
IUPAC NameN,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N(F)F)C(F)(F)F
InChIInChI=1S/C8H6F13NO/c9-3(7(14,15)16)5(10,11)1-23-2-6(12,13)4(22(20)21)8(17,18)19/h3-4H,1-2H2
InChIKeyUAFNFVNBAAGYOO-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine?
The IUPAC name of N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine (CID 137474702) is N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine.
What is the SMILES notation for N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine?
The canonical SMILES for N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine is FC(C(F)(F)F)C(F)(F)COCC(F)(F)C(N(F)F)C(F)(F)F.
What is the InChIKey of N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine?
The InChIKey is UAFNFVNBAAGYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F13NO/c9-3(7(14,15)16)5(10,11)1-23-2-6(12,13)4(22(20)21)8(17,18)19/h3-4H,1-2H2.
What are the key properties of N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine?
N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine has a molecular weight of 379.12 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,1,3,3-heptafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-amine is sourced from PubChem (CID 137474702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).