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

C6H7F2N — CID 89073757

IUPAC4,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(F)=CC1F
InChIInChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h1-3,5-6H,9H2
InChIKeyKGZXBCOMAOTRBL-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.08
Rot. Bonds

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

4,6-difluorocyclohexa-2,4-dien-1-amine (PubChem CID 89073757) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 4,6-difluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4,6-difluorocyclohexa-2,4-dien-1-amine
PubChem CID89073757
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name4,6-difluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(F)=CC1F
InChIInChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h1-3,5-6H,9H2
InChIKeyKGZXBCOMAOTRBL-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

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Related Compounds

p-Di-fluoroaniline
CID 21087358
1H-Anilin
CID 15267068
2-Methyleneaniline
CID 70393655
2-Fluoro-2-methylaniline
CID 22273309
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
6-Bromo-6-fluorocyclohexa-2,4-dien-1-amine
CID 67156955
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
1-Fluorocyclohexa-3,5-diene-1,2-diamine
CID 67851145
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326
3-Fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68045101

Frequently Asked Questions

What is the IUPAC name of 4,6-difluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4,6-difluorocyclohexa-2,4-dien-1-amine (CID 89073757) is 4,6-difluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4,6-difluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4,6-difluorocyclohexa-2,4-dien-1-amine is NC1C=CC(F)=CC1F.
What is the InChIKey of 4,6-difluorocyclohexa-2,4-dien-1-amine?
The InChIKey is KGZXBCOMAOTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h1-3,5-6H,9H2.
What are the key properties of 4,6-difluorocyclohexa-2,4-dien-1-amine?
4,6-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 4,6-difluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).