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

C11H12F3NO — CID 169474120

IUPAC2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
SMILESCNCC=Cc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C11H12F3NO/c1-15-6-2-3-8-7-9(11(12,13)14)4-5-10(8)16/h2-5,7,15-16H,6H2,1H3
InChIKeyVIEKPMGSBMBZKC-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.64
Rot. Bonds3

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

2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol (PubChem CID 169474120) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
PubChem CID169474120
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
SMILESCNCC=Cc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C11H12F3NO/c1-15-6-2-3-8-7-9(11(12,13)14)4-5-10(8)16/h2-5,7,15-16H,6H2,1H3
InChIKeyVIEKPMGSBMBZKC-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474783
4-tert-butyl-2-(3-hydroxyprop-1-enyl)phenol
CID 169453803
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
2-[3-(methylamino)prop-1-enyl]-4-nitrophenol
CID 169474036
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606
N-[3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466076
2-[4-(methylamino)but-1-enyl]-4-(trifluoromethyl)aniline
CID 170496362
4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
CID 170477115
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
2-fluoro-4-[3-(methylamino)prop-1-enyl]phenol
CID 169473192
1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
CID 169476626
2-(3-acetamidoprop-1-enyl)-5-(trifluoromethyl)benzoic acid
CID 169466370

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol (CID 169474120) is 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol is CNCC=Cc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol?
The InChIKey is VIEKPMGSBMBZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15-6-2-3-8-7-9(11(12,13)14)4-5-10(8)16/h2-5,7,15-16H,6H2,1H3.
What are the key properties of 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol?
2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol has a molecular weight of 231.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 169474120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).