butane;(2,3,4,5,6-pentafluorophenyl)methanamine

C11H14F5N — CID 175415233

IUPACbutane;(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCCCC.NCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F5N.C4H10/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;1-3-4-2/h1,13H2;3-4H2,1-2H3
InChIKeyGDSJCRLOFBBQDH-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.65
Rot. Bonds2

About butane;(2,3,4,5,6-pentafluorophenyl)methanamine

butane;(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 175415233) has the molecular formula C11H14F5N and a molecular weight of 255.23 g/mol. Its IUPAC name is butane;(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Namebutane;(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID175415233
Molecular FormulaC11H14F5N
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Namebutane;(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCCCC.NCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F5N.C4H10/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;1-3-4-2/h1,13H2;3-4H2,1-2H3
InChIKeyGDSJCRLOFBBQDH-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of butane;(2,3,4,5,6-pentafluorophenyl)methanamine (CID 175415233) is butane;(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for butane;(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for butane;(2,3,4,5,6-pentafluorophenyl)methanamine is CCCC.NCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of butane;(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is GDSJCRLOFBBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N.C4H10/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;1-3-4-2/h1,13H2;3-4H2,1-2H3.
What are the key properties of butane;(2,3,4,5,6-pentafluorophenyl)methanamine?
butane;(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 255.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 175415233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).