2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol

C10H12FNO — CID 169473192

IUPAC2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1ccc(O)c(F)c1
InChIInChI=1S/C10H12FNO/c1-12-6-2-3-8-4-5-10(13)9(11)7-8/h2-5,7,12-13H,6H2,1H3
InChIKeyASJMELFVJQFWQG-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.76
Rot. Bonds3

About 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol

2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol (PubChem CID 169473192) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
PubChem CID169473192
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1ccc(O)c(F)c1
InChIInChI=1S/C10H12FNO/c1-12-6-2-3-8-4-5-10(13)9(11)7-8/h2-5,7,12-13H,6H2,1H3
InChIKeyASJMELFVJQFWQG-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-4-hydroxyphenyl)but-3-enal
CID 170481448
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
3-(3,4-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347465
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
(1E,6E)-1-(3-fluoro-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551811
2-bromo-4-[4-(methylamino)but-1-enyl]phenol
CID 170496795
2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
CID 169474120
3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474659
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
CID 169474297
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol?
The IUPAC name of 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol (CID 169473192) is 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol?
The canonical SMILES for 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol is CNCC=Cc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol?
The InChIKey is ASJMELFVJQFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-6-2-3-8-4-5-10(13)9(11)7-8/h2-5,7,12-13H,6H2,1H3.
What are the key properties of 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol?
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol has a molecular weight of 181.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol is sourced from PubChem (CID 169473192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).