1-(2,3-difluorophenyl)non-8-en-2-amine

C15H21F2N — CID 107011377

IUPAC1-(2,3-difluorophenyl)non-8-en-2-amine
SMILESC=CCCCCCC(N)Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2N/c1-2-3-4-5-6-9-13(18)11-12-8-7-10-14(16)15(12)17/h2,7-8,10,13H,1,3-6,9,11,18H2
InChIKeyMUCFKJXUPDEAOI-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.97
Rot. Bonds8

About 1-(2,3-difluorophenyl)non-8-en-2-amine

1-(2,3-difluorophenyl)non-8-en-2-amine (PubChem CID 107011377) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)non-8-en-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)non-8-en-2-amine
PubChem CID107011377
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(2,3-difluorophenyl)non-8-en-2-amine
SMILESC=CCCCCCC(N)Cc1cccc(F)c1F
InChIInChI=1S/C15H21F2N/c1-2-3-4-5-6-9-13(18)11-12-8-7-10-14(16)15(12)17/h2,7-8,10,13H,1,3-6,9,11,18H2
InChIKeyMUCFKJXUPDEAOI-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(2,3-difluorophenyl)but-3-en-2-ylhydrazine
CID 105317990
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66052111
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)non-8-en-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)non-8-en-2-amine (CID 107011377) is 1-(2,3-difluorophenyl)non-8-en-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)non-8-en-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)non-8-en-2-amine is C=CCCCCCC(N)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)non-8-en-2-amine?
The InChIKey is MUCFKJXUPDEAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-2-3-4-5-6-9-13(18)11-12-8-7-10-14(16)15(12)17/h2,7-8,10,13H,1,3-6,9,11,18H2.
What are the key properties of 1-(2,3-difluorophenyl)non-8-en-2-amine?
1-(2,3-difluorophenyl)non-8-en-2-amine has a molecular weight of 253.34 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)non-8-en-2-amine is sourced from PubChem (CID 107011377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).