5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine

C7H9F2N — CID 118423018

IUPAC5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=C(F)C1F
InChIInChI=1S/C7H9F2N/c1-10-6-4-2-3-5(8)7(6)9/h2-4,6-7,10H,1H3
InChIKeyPRXBUZTVDZZAGF-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.34
Rot. Bonds1

About 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine

5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 118423018) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID118423018
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=C(F)C1F
InChIInChI=1S/C7H9F2N/c1-10-6-4-2-3-5(8)7(6)9/h2-4,6-7,10H,1H3
InChIKeyPRXBUZTVDZZAGF-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1,2,3,6-tetrahydro-pyridine
CID 20216100
1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 17948316
N-(difluoromethyl)-1-fluorocyclohexa-2,4-dien-1-amine
CID 23122956
6-chloro-2,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23345312
6-bromo-2,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23345318
6-Fluorocyclohexa-2,4-dien-1-amine
CID 23505185
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194
4-Fluorocyclohexa-2,4-dien-1-amine
CID 68016326
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
4,6-Difluorocyclohexa-2,4-dien-1-amine
CID 89073757

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine (CID 118423018) is 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC=C(F)C1F.
What is the InChIKey of 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is PRXBUZTVDZZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-10-6-4-2-3-5(8)7(6)9/h2-4,6-7,10H,1H3.
What are the key properties of 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine?
5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 118423018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).