1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine

C11H19FN2 — CID 154420816

IUPAC1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCCNC1C=CC(F)=CC1(C)NCC
InChIInChI=1S/C11H19FN2/c1-4-13-10-7-6-9(12)8-11(10,3)14-5-2/h6-8,10,13-14H,4-5H2,1-3H3
InChIKeyYQOFZCIAJNOHHG-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.76
Rot. Bonds4

About 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine

1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 154420816) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine
PubChem CID154420816
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCCNC1C=CC(F)=CC1(C)NCC
InChIInChI=1S/C11H19FN2/c1-4-13-10-7-6-9(12)8-11(10,3)14-5-2/h6-8,10,13-14H,4-5H2,1-3H3
InChIKeyYQOFZCIAJNOHHG-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine (CID 154420816) is 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine is CCNC1C=CC(F)=CC1(C)NCC.
What is the InChIKey of 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is YQOFZCIAJNOHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-4-13-10-7-6-9(12)8-11(10,3)14-5-2/h6-8,10,13-14H,4-5H2,1-3H3.
What are the key properties of 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine?
1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 198.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-5-fluoro-1-methylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 154420816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).