[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine

C8H12FN — CID 139317184

IUPAC[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1C=CC=C(CN)[C@H]1F
InChIInChI=1S/C8H12FN/c1-6-3-2-4-7(5-10)8(6)9/h2-4,6,8H,5,10H2,1H3/t6?,8-/m0/s1
InChIKeyNJPJFELLPHNGCS-XDKWHASVSA-N
MW141.19 g/mol
LogP1.42
Rot. Bonds1

About [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine

[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 139317184) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine
PubChem CID139317184
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1C=CC=C(CN)[C@H]1F
InChIInChI=1S/C8H12FN/c1-6-3-2-4-7(5-10)8(6)9/h2-4,6,8H,5,10H2,1H3/t6?,8-/m0/s1
InChIKeyNJPJFELLPHNGCS-XDKWHASVSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine (CID 139317184) is [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine is CC1C=CC=C(CN)[C@H]1F.
What is the InChIKey of [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is NJPJFELLPHNGCS-XDKWHASVSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-2-4-7(5-10)8(6)9/h2-4,6,8H,5,10H2,1H3/t6?,8-/m0/s1.
What are the key properties of [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine?
[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 141.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 139317184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).