(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine

C11H10F5N — CID 171229918

IUPAC(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5N/c1-2-3-4-5(17)6-7(12)9(14)11(16)10(15)8(6)13/h2,5H,1,3-4,17H2/t5-/m0/s1
InChIKeyDJGGZLMTZIWATL-YFKPBYRVSA-N
MW251.20 g/mol
LogP3.35
Rot. Bonds4

About (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine

(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine (PubChem CID 171229918) has the molecular formula C11H10F5N and a molecular weight of 251.20 g/mol. Its IUPAC name is (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
PubChem CID171229918
Molecular FormulaC11H10F5N
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
SMILESC=CCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5N/c1-2-3-4-5(17)6-7(12)9(14)11(16)10(15)8(6)13/h2,5H,1,3-4,17H2/t5-/m0/s1
InChIKeyDJGGZLMTZIWATL-YFKPBYRVSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 53.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
The IUPAC name of (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine (CID 171229918) is (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine.
What is the SMILES notation for (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
The canonical SMILES for (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine is C=CCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
The InChIKey is DJGGZLMTZIWATL-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H10F5N/c1-2-3-4-5(17)6-7(12)9(14)11(16)10(15)8(6)13/h2,5H,1,3-4,17H2/t5-/m0/s1.
What are the key properties of (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine?
(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine has a molecular weight of 251.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine is sourced from PubChem (CID 171229918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).