1-(2,6-difluorophenyl)hept-6-en-2-amine

C13H17F2N — CID 104986671

IUPAC1-(2,6-difluorophenyl)hept-6-en-2-amine
SMILESC=CCCCC(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-2-3-4-6-10(16)9-11-12(14)7-5-8-13(11)15/h2,5,7-8,10H,1,3-4,6,9,16H2
InChIKeyLLMGYYPRXLIADK-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.19
Rot. Bonds6

About 1-(2,6-difluorophenyl)hept-6-en-2-amine

1-(2,6-difluorophenyl)hept-6-en-2-amine (PubChem CID 104986671) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)hept-6-en-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)hept-6-en-2-amine
PubChem CID104986671
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,6-difluorophenyl)hept-6-en-2-amine
SMILESC=CCCCC(N)Cc1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-2-3-4-6-10(16)9-11-12(14)7-5-8-13(11)15/h2,5,7-8,10H,1,3-4,6,9,16H2
InChIKeyLLMGYYPRXLIADK-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.19
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-(2,3-difluorophenyl)non-8-en-2-amine
CID 107011377
1-(2-fluorophenyl)sulfanylhept-6-en-2-amine
CID 66052111
1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
CID 104987122
4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 114932542
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725
1-(2,6-difluorophenyl)but-3-en-2-ol
CID 115814830
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
nona-1,8-dien-4-amine
CID 116660372
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554
1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
CID 115506237
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)hept-6-en-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)hept-6-en-2-amine (CID 104986671) is 1-(2,6-difluorophenyl)hept-6-en-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)hept-6-en-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)hept-6-en-2-amine is C=CCCCC(N)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)hept-6-en-2-amine?
The InChIKey is LLMGYYPRXLIADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-3-4-6-10(16)9-11-12(14)7-5-8-13(11)15/h2,5,7-8,10H,1,3-4,6,9,16H2.
What are the key properties of 1-(2,6-difluorophenyl)hept-6-en-2-amine?
1-(2,6-difluorophenyl)hept-6-en-2-amine has a molecular weight of 225.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)hept-6-en-2-amine is sourced from PubChem (CID 104986671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).