2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol

C10H16FNO2 — CID 154426192

IUPAC2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESNC1(CCO)C=CC=C(F)C1CCO
InChIInChI=1S/C10H16FNO2/c11-9-2-1-4-10(12,5-7-14)8(9)3-6-13/h1-2,4,8,13-14H,3,5-7,12H2
InChIKeyBIDFWVKWCULBKJ-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.49
Rot. Bonds4

About 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol

2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 154426192) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID154426192
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESNC1(CCO)C=CC=C(F)C1CCO
InChIInChI=1S/C10H16FNO2/c11-9-2-1-4-10(12,5-7-14)8(9)3-6-13/h1-2,4,8,13-14H,3,5-7,12H2
InChIKeyBIDFWVKWCULBKJ-UHFFFAOYSA-N
XLogP0.49
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol (CID 154426192) is 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol is NC1(CCO)C=CC=C(F)C1CCO.
What is the InChIKey of 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is BIDFWVKWCULBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-9-2-1-4-10(12,5-7-14)8(9)3-6-13/h1-2,4,8,13-14H,3,5-7,12H2.
What are the key properties of 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol?
2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 201.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-fluoro-6-(2-hydroxyethyl)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 154426192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).