[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine

C8H12FN — CID 89411614

IUPAC[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine
SMILESC[C@]1(F)C=CC(CN)=CC1
InChIInChI=1S/C8H12FN/c1-8(9)4-2-7(6-10)3-5-8/h2-4H,5-6,10H2,1H3/t8-/m0/s1
InChIKeyWDAXKFQWAKLAGG-QMMMGPOBSA-N
MW141.19 g/mol
LogP1.56
Rot. Bonds1

About [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine

[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine (PubChem CID 89411614) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine
PubChem CID89411614
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine
SMILESC[C@]1(F)C=CC(CN)=CC1
InChIInChI=1S/C8H12FN/c1-8(9)4-2-7(6-10)3-5-8/h2-4H,5-6,10H2,1H3/t8-/m0/s1
InChIKeyWDAXKFQWAKLAGG-QMMMGPOBSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine?
The IUPAC name of [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine (CID 89411614) is [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine?
The canonical SMILES for [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine is C[C@]1(F)C=CC(CN)=CC1.
What is the InChIKey of [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine?
The InChIKey is WDAXKFQWAKLAGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12FN/c1-8(9)4-2-7(6-10)3-5-8/h2-4H,5-6,10H2,1H3/t8-/m0/s1.
What are the key properties of [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine?
[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine has a molecular weight of 141.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 89411614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).