[(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol

C8H12FNO — CID 146580858

IUPAC[(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol
SMILESC[C@@]1(N)C=C(F)C=CC1CO
InChIInChI=1S/C8H12FNO/c1-8(10)4-7(9)3-2-6(8)5-11/h2-4,6,11H,5,10H2,1H3/t6?,8-/m1/s1
InChIKeyXTKBIZPILKOWCT-QFSRMBNQSA-N
MW157.19 g/mol
LogP0.74
Rot. Bonds1

About [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol

[(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 146580858) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID146580858
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name[(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol
SMILESC[C@@]1(N)C=C(F)C=CC1CO
InChIInChI=1S/C8H12FNO/c1-8(10)4-7(9)3-2-6(8)5-11/h2-4,6,11H,5,10H2,1H3/t6?,8-/m1/s1
InChIKeyXTKBIZPILKOWCT-QFSRMBNQSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol (CID 146580858) is [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol is C[C@@]1(N)C=C(F)C=CC1CO.
What is the InChIKey of [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is XTKBIZPILKOWCT-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H12FNO/c1-8(10)4-7(9)3-2-6(8)5-11/h2-4,6,11H,5,10H2,1H3/t6?,8-/m1/s1.
What are the key properties of [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol?
[(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 157.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 146580858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).