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

C7H9F2N — CID 155482967

IUPAC2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=C(F)C=C(F)C1N
InChIInChI=1S/C7H9F2N/c1-4-2-5(8)3-6(9)7(4)10/h2-4,7H,10H2,1H3
InChIKeyOKVRRTVUESFOPN-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.67
Rot. Bonds

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

2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 155482967) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID155482967
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=C(F)C=C(F)C1N
InChIInChI=1S/C7H9F2N/c1-4-2-5(8)3-6(9)7(4)10/h2-4,7H,10H2,1H3
InChIKeyOKVRRTVUESFOPN-UHFFFAOYSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine (CID 155482967) is 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine is CC1C=C(F)C=C(F)C1N.
What is the InChIKey of 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is OKVRRTVUESFOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-4-2-5(8)3-6(9)7(4)10/h2-4,7H,10H2,1H3.
What are the key properties of 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine?
2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155482967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).