(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine

C14H14F5N — CID 101429390

IUPAC(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine
SMILESFc1c(F)c(F)c(NC2/C=C\CCCCC2)c(F)c1F
InChIInChI=1S/C14H14F5N/c15-9-10(16)12(18)14(13(19)11(9)17)20-8-6-4-2-1-3-5-7-8/h4,6,8,20H,1-3,5,7H2/b6-4-
InChIKeyPDDHZDKUWBPMSC-XQRVVYSFSA-N
MW291.26 g/mol
LogP4.68
Rot. Bonds2

About (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine

(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine (PubChem CID 101429390) has the molecular formula C14H14F5N and a molecular weight of 291.26 g/mol. Its IUPAC name is (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine.

Molecular Properties

Compound Name(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine
PubChem CID101429390
Molecular FormulaC14H14F5N
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Name(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine
SMILESFc1c(F)c(F)c(NC2/C=C\CCCCC2)c(F)c1F
InChIInChI=1S/C14H14F5N/c15-9-10(16)12(18)14(13(19)11(9)17)20-8-6-4-2-1-3-5-7-8/h4,6,8,20H,1-3,5,7H2/b6-4-
InChIKeyPDDHZDKUWBPMSC-XQRVVYSFSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 54.68
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'}

Analyze (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-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

Related Compounds

(2E)-N-(3-fluoro-2-methylphenyl)cyclooct-2-en-1-amine
CID 114227803
(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
CID 114227819
(2Z)-N-[3,5-bis(trifluoromethyl)phenyl]cyclooct-2-en-1-amine
CID 132500493
(2E)-N-(2-methylsulfanylphenyl)cyclooct-2-en-1-amine
CID 114227908
3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline
CID 107908426
(2E)-N-(5-bromo-2-chlorophenyl)cyclooct-2-en-1-amine
CID 114227821
N-cyclohex-2-en-1-ylcyclooctanamine
CID 103830652
(2E)-N-(4-bromo-3-iodophenyl)cyclooct-2-en-1-amine
CID 114260407
(2,3,4,5,6-pentafluorophenyl)methyl N-cyclohex-2-en-1-ylsulfamate
CID 53260508
N-propylcyclooct-2-en-1-amine
CID 123644376
(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine
CID 114227896
2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline
CID 107908419

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine?
The IUPAC name of (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine (CID 101429390) is (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine.
What is the SMILES notation for (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine?
The canonical SMILES for (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine is Fc1c(F)c(F)c(NC2/C=C\CCCCC2)c(F)c1F.
What is the InChIKey of (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine?
The InChIKey is PDDHZDKUWBPMSC-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H14F5N/c15-9-10(16)12(18)14(13(19)11(9)17)20-8-6-4-2-1-3-5-7-8/h4,6,8,20H,1-3,5,7H2/b6-4-.
What are the key properties of (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine?
(2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine has a molecular weight of 291.26 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2,3,4,5,6-pentafluorophenyl)cyclooct-2-en-1-amine is sourced from PubChem (CID 101429390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).