3-amino-2-fluorophenol;ethane

C8H12FNO — CID 155586440

IUPAC3-amino-2-fluorophenol;ethane
SMILESCC.Nc1cccc(O)c1F
InChIInChI=1S/C6H6FNO.C2H6/c7-6-4(8)2-1-3-5(6)9;1-2/h1-3,9H,8H2;1-2H3
InChIKeyMRQIYOIPCZQKHH-UHFFFAOYSA-N
MW157.19 g/mol
LogP2.14
Rot. Bonds

About 3-amino-2-fluorophenol;ethane

3-amino-2-fluorophenol;ethane (PubChem CID 155586440) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-amino-2-fluorophenol;ethane.

Molecular Properties

Compound Name3-amino-2-fluorophenol;ethane
PubChem CID155586440
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-amino-2-fluorophenol;ethane
SMILESCC.Nc1cccc(O)c1F
InChIInChI=1S/C6H6FNO.C2H6/c7-6-4(8)2-1-3-5(6)9;1-2/h1-3,9H,8H2;1-2H3
InChIKeyMRQIYOIPCZQKHH-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-aminophenol;ethane;methane
CID 158189798
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
(3-amino-2-fluorophenyl)boronic acid;hydrochloride
CID 156808970
3-amino-2-methylphenol;hydrate
CID 175262808
2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
CID 174546410
2,3-diaminophenol;zinc
CID 90019674
2,3-diaminophenol;hydrochloride
CID 18381079
2,3-diaminophenol;dihydrochloride
CID 18401751
2-amino-6-fluorophenol;hydrochloride
CID 174428630
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
(2-amino-6-hydroxyphenyl)methyl-dimethylazanium
CID 3990239

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluorophenol;ethane?
The IUPAC name of 3-amino-2-fluorophenol;ethane (CID 155586440) is 3-amino-2-fluorophenol;ethane.
What is the SMILES notation for 3-amino-2-fluorophenol;ethane?
The canonical SMILES for 3-amino-2-fluorophenol;ethane is CC.Nc1cccc(O)c1F.
What is the InChIKey of 3-amino-2-fluorophenol;ethane?
The InChIKey is MRQIYOIPCZQKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO.C2H6/c7-6-4(8)2-1-3-5(6)9;1-2/h1-3,9H,8H2;1-2H3.
What are the key properties of 3-amino-2-fluorophenol;ethane?
3-amino-2-fluorophenol;ethane has a molecular weight of 157.19 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluorophenol;ethane is sourced from PubChem (CID 155586440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).