3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol

C10H12FNO — CID 169473191

IUPAC3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1cc(O)cc(F)c1
InChIInChI=1S/C10H12FNO/c1-12-4-2-3-8-5-9(11)7-10(13)6-8/h2-3,5-7,12-13H,4H2,1H3
InChIKeyNBQZKMRYMAFKCS-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.76
Rot. Bonds3

About 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol

3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol (PubChem CID 169473191) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
PubChem CID169473191
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
SMILESCNCC=Cc1cc(O)cc(F)c1
InChIInChI=1S/C10H12FNO/c1-12-4-2-3-8-5-9(11)7-10(13)6-8/h2-3,5-7,12-13H,4H2,1H3
InChIKeyNBQZKMRYMAFKCS-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

methyl 4-(3-fluoro-5-hydroxyphenyl)but-3-enoate
CID 170500473
3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473286
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
4-(3-fluoro-5-hydroxyphenyl)but-3-enenitrile
CID 170799259
S-[3-(3-fluoro-5-hydroxyphenyl)prop-2-enyl] ethanethioate
CID 169456781
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
CID 169473192
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol?
The IUPAC name of 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol (CID 169473191) is 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol.
What is the SMILES notation for 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol?
The canonical SMILES for 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol is CNCC=Cc1cc(O)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol?
The InChIKey is NBQZKMRYMAFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-4-2-3-8-5-9(11)7-10(13)6-8/h2-3,5-7,12-13H,4H2,1H3.
What are the key properties of 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol?
3-fluoro-5-[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 3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol is sourced from PubChem (CID 169473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).