2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol

C8H12FNO — CID 123802805

IUPAC2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
SMILESNC(CO)C1C=CC(F)=CC1
InChIInChI=1S/C8H12FNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1,3-4,6,8,11H,2,5,10H2
InChIKeyUIZVUBLPMPLKBZ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.74
Rot. Bonds2

About 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol

2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 123802805) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
PubChem CID123802805
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
SMILESNC(CO)C1C=CC(F)=CC1
InChIInChI=1S/C8H12FNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1,3-4,6,8,11H,2,5,10H2
InChIKeyUIZVUBLPMPLKBZ-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol with MolForge

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Related Compounds

2-Amino-2-(cyclohex-3-en-1-yl)ethan-1-ol
CID 61056225
(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 89219682
(2S)-2-amino-2-(5-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 132099709
2-Amino-2-(2-fluorocyclohexa-2,4-dien-1-yl)propan-1-ol
CID 138459361
(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
CID 142806656
2-Amino-3-(6-fluorocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 145561468
2-[3-(1-Aminoethyl)cyclohexa-2,4-dien-1-yl]-2,2-difluoroethanol
CID 166734917
(2S)-2-amino-2-cyclohexa-2,4-dien-1-ylethanol
CID 67475803
(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68063874
2-Amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68092708
2-(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol
CID 70183220
(2R,5Z)-2-aminoocta-5,7-dien-1-ol
CID 118669999

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol (CID 123802805) is 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol is NC(CO)C1C=CC(F)=CC1.
What is the InChIKey of 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is UIZVUBLPMPLKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1,3-4,6,8,11H,2,5,10H2.
What are the key properties of 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 157.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 123802805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).