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

C8H12FNO — CID 89219682

IUPAC(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
SMILESN[C@H](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/t6?,8-/m1/s1
InChIKeyUIZVUBLPMPLKBZ-QFSRMBNQSA-N
MW157.19 g/mol
LogP0.74
Rot. Bonds2

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

(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 89219682) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
PubChem CID89219682
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
SMILESN[C@H](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/t6?,8-/m1/s1
InChIKeyUIZVUBLPMPLKBZ-QFSRMBNQSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol (CID 89219682) is (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol is N[C@H](CO)C1C=CC(F)=CC1.
What is the InChIKey of (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is UIZVUBLPMPLKBZ-QFSRMBNQSA-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/t6?,8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol?
(2S)-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 (2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 89219682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).