7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine

C19H23F2N — CID 70323326

IUPAC7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine
SMILESC=C(N)CCCCC(c1ccc(F)cc1)C1C=CC(F)=CC1
InChIInChI=1S/C19H23F2N/c1-14(22)4-2-3-5-19(15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-8,10-13,16,19H,1-5,9,22H2
InChIKeyHCQZSKKGETZJIR-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.37
Rot. Bonds7

About 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine

7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine (PubChem CID 70323326) has the molecular formula C19H23F2N and a molecular weight of 303.40 g/mol. Its IUPAC name is 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine.

Molecular Properties

Compound Name7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine
PubChem CID70323326
Molecular FormulaC19H23F2N
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine
SMILESC=C(N)CCCCC(c1ccc(F)cc1)C1C=CC(F)=CC1
InChIInChI=1S/C19H23F2N/c1-14(22)4-2-3-5-19(15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-8,10-13,16,19H,1-5,9,22H2
InChIKeyHCQZSKKGETZJIR-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine?
The IUPAC name of 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine (CID 70323326) is 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine.
What is the SMILES notation for 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine?
The canonical SMILES for 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine is C=C(N)CCCCC(c1ccc(F)cc1)C1C=CC(F)=CC1.
What is the InChIKey of 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine?
The InChIKey is HCQZSKKGETZJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N/c1-14(22)4-2-3-5-19(15-6-10-17(20)11-7-15)16-8-12-18(21)13-9-16/h6-8,10-13,16,19H,1-5,9,22H2.
What are the key properties of 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine?
7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine has a molecular weight of 303.40 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine is sourced from PubChem (CID 70323326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).