2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine

C11H15F2N — CID 134394344

IUPAC2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(CCC)C1=C(F)C(N)=C(F)CC1
InChIInChI=1S/C11H15F2N/c1-3-4-7(2)8-5-6-9(12)11(14)10(8)13/h2-6,14H2,1H3
InChIKeyBRUGPFJJPONTAI-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.50
Rot. Bonds3

About 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine

2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 134394344) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID134394344
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(CCC)C1=C(F)C(N)=C(F)CC1
InChIInChI=1S/C11H15F2N/c1-3-4-7(2)8-5-6-9(12)11(14)10(8)13/h2-6,14H2,1H3
InChIKeyBRUGPFJJPONTAI-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine (CID 134394344) is 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine is C=C(CCC)C1=C(F)C(N)=C(F)CC1.
What is the InChIKey of 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is BRUGPFJJPONTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-4-7(2)8-5-6-9(12)11(14)10(8)13/h2-6,14H2,1H3.
What are the key properties of 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine?
2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 199.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-5-pent-1-en-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134394344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).