1,6-difluorocyclohexa-2,4-dien-1-amine

C6H7F2N — CID 141445073

IUPAC1,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1(F)C=CC=CC1F
InChIInChI=1S/C6H7F2N/c7-5-3-1-2-4-6(5,8)9/h1-5H,9H2
InChIKeyHHQANPWGPCTUNZ-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.08
Rot. Bonds

About 1,6-difluorocyclohexa-2,4-dien-1-amine

1,6-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 141445073) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 1,6-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,6-difluorocyclohexa-2,4-dien-1-amine
PubChem CID141445073
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name1,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1(F)C=CC=CC1F
InChIInChI=1S/C6H7F2N/c7-5-3-1-2-4-6(5,8)9/h1-5H,9H2
InChIKeyHHQANPWGPCTUNZ-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Aniline, 1,2,3,4,5-pentafluoro-
CID 151332991
p-Di-fluoroaniline
CID 21087358
1,2-Difluoro-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 21614385
1-Chloro-4,5-difluorocyclohexa-2,4-dien-1-amine
CID 21687166
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
1-Bromo-2,6-difluorocyclohexa-2,4-dien-1-amine
CID 67117845
4,6-Difluoro-1-methylcyclohexa-2,4-dien-1-amine
CID 68132679
4,5-Difluorocyclohexa-1,5-dien-1-amine
CID 68322278
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
1-Fluorocyclohexa-2,4-dien-1-amine
CID 68621009
1-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69149864
2,4-Difluorocyclohexa-2,4-dien-1-amine
CID 70212238

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,6-difluorocyclohexa-2,4-dien-1-amine (CID 141445073) is 1,6-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,6-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,6-difluorocyclohexa-2,4-dien-1-amine is NC1(F)C=CC=CC1F.
What is the InChIKey of 1,6-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is HHQANPWGPCTUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-5-3-1-2-4-6(5,8)9/h1-5H,9H2.
What are the key properties of 1,6-difluorocyclohexa-2,4-dien-1-amine?
1,6-difluorocyclohexa-2,4-dien-1-amine has a molecular weight of 131.12 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141445073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).