2-(3-aminoprop-1-enyl)-3-fluorophenol

C9H10FNO — CID 169463203

IUPAC2-(3-aminoprop-1-enyl)-3-fluorophenol
SMILESNCC=Cc1c(O)cccc1F
InChIInChI=1S/C9H10FNO/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5,12H,6,11H2
InChIKeyUZSJPRKTZTXUDI-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.50
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)-3-fluorophenol

2-(3-aminoprop-1-enyl)-3-fluorophenol (PubChem CID 169463203) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-3-fluorophenol.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-3-fluorophenol
PubChem CID169463203
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(3-aminoprop-1-enyl)-3-fluorophenol
SMILESNCC=Cc1c(O)cccc1F
InChIInChI=1S/C9H10FNO/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5,12H,6,11H2
InChIKeyUZSJPRKTZTXUDI-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminoprop-1-enyl)-3-bromophenol
CID 169464695
2-[(E)-3-aminoprop-1-enyl]-3-ethoxyphenol
CID 117283636
2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane
CID 145147659
2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
ethane;(E)-4-(2-fluoro-6-hydroxyphenyl)but-3-en-2-one
CID 142406903
benzyl N-[4-(2-fluoro-6-hydroxyphenyl)but-3-enyl]carbamate
CID 170493624
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
6-[(E)-3-aminoprop-1-enyl]-5-chlorobenzene-1,2,4-triol
CID 117307221
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-3-fluorophenol?
The IUPAC name of 2-(3-aminoprop-1-enyl)-3-fluorophenol (CID 169463203) is 2-(3-aminoprop-1-enyl)-3-fluorophenol.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-3-fluorophenol?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-3-fluorophenol is NCC=Cc1c(O)cccc1F.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-3-fluorophenol?
The InChIKey is UZSJPRKTZTXUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5,12H,6,11H2.
What are the key properties of 2-(3-aminoprop-1-enyl)-3-fluorophenol?
2-(3-aminoprop-1-enyl)-3-fluorophenol has a molecular weight of 167.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-3-fluorophenol is sourced from PubChem (CID 169463203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).