3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol

C10H10F3NO2 — CID 169454110

IUPAC3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol
SMILESNc1cc(OC(F)(F)F)ccc1C=CCO
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)16-8-4-3-7(2-1-5-15)9(14)6-8/h1-4,6,15H,5,14H2
InChIKeyVBGBIHJPRPXKAY-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.17
Rot. Bonds3

About 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol

3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol (PubChem CID 169454110) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol
PubChem CID169454110
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol
SMILESNc1cc(OC(F)(F)F)ccc1C=CCO
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)16-8-4-3-7(2-1-5-15)9(14)6-8/h1-4,6,15H,5,14H2
InChIKeyVBGBIHJPRPXKAY-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
CID 170477398
(2E)-2-[[2-amino-4-(trifluoromethoxy)phenyl]methylidene]butanoic acid
CID 146460887
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456006
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline
CID 89386220
3-(2-amino-4-nitrophenyl)prop-2-en-1-ol
CID 169453618
4-[2-chloro-4-(trifluoromethoxy)phenyl]but-3-ene-1-thiol
CID 170479175
3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 169454398
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456007
ethyl 3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enoate
CID 90967171

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol (CID 169454110) is 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol is Nc1cc(OC(F)(F)F)ccc1C=CCO.
What is the InChIKey of 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
The InChIKey is VBGBIHJPRPXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)16-8-4-3-7(2-1-5-15)9(14)6-8/h1-4,6,15H,5,14H2.
What are the key properties of 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol?
3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol has a molecular weight of 233.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 169454110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).