5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine

C11H16FNO — CID 163515040

IUPAC5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1(C2CCCO2)C(F)=CC=CC1N
InChIInChI=1S/C11H16FNO/c1-11(10-6-3-7-14-10)8(12)4-2-5-9(11)13/h2,4-5,9-10H,3,6-7,13H2,1H3
InChIKeyDFYQBKHWBFKIRE-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.92
Rot. Bonds1

About 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine

5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 163515040) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID163515040
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1(C2CCCO2)C(F)=CC=CC1N
InChIInChI=1S/C11H16FNO/c1-11(10-6-3-7-14-10)8(12)4-2-5-9(11)13/h2,4-5,9-10H,3,6-7,13H2,1H3
InChIKeyDFYQBKHWBFKIRE-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine (CID 163515040) is 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine is CC1(C2CCCO2)C(F)=CC=CC1N.
What is the InChIKey of 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is DFYQBKHWBFKIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(10-6-3-7-14-10)8(12)4-2-5-9(11)13/h2,4-5,9-10H,3,6-7,13H2,1H3.
What are the key properties of 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 197.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-6-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163515040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).