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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Related Compounds

2-methyl-1-(oxan-2-yl)cyclopropan-1-amine
CID 84650279
2-(1-methylcyclohexyl)oxolane
CID 23594551
5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione
CID 164648047
4-methyl-4-(oxolan-2-yl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 165470768
4-methyl-6-methylsulfonyl-4-[(2S)-oxolan-2-yl]cyclohexa-1,5-dien-1-amine
CID 134512967
2-(1,2,2-trimethylcyclooctyl)oxocane
CID 174920418
2-(4-methylsulfanylphenyl)oxan-3-amine
CID 79364958
N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine
CID 123591526
trans-(3R,5R)-2,3-dimethyl-2-(oxolan-2-yl)-5-prop-1-en-2-ylcyclohexan-1-one
CID 102122538
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 54595224

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).