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

C7H9F2N — CID 142914022

IUPAC2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(F)CCC=C1F
InChIInChI=1S/C7H9F2N/c1-10-7-5(8)3-2-4-6(7)9/h3,10H,2,4H2,1H3
InChIKeyAJNWYWSVZHSQHJ-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.03
Rot. Bonds1

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

2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 142914022) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID142914022
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(F)CCC=C1F
InChIInChI=1S/C7H9F2N/c1-10-7-5(8)3-2-4-6(7)9/h3,10H,2,4H2,1H3
InChIKeyAJNWYWSVZHSQHJ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine (CID 142914022) is 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine is CNC1=C(F)CCC=C1F.
What is the InChIKey of 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is AJNWYWSVZHSQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-10-7-5(8)3-2-4-6(7)9/h3,10H,2,4H2,1H3.
What are the key properties of 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine?
2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142914022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).