3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol

C9H9F2NO — CID 169453366

IUPAC3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
SMILESNc1c(F)cc(F)cc1C=CCO
InChIInChI=1S/C9H9F2NO/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h1-2,4-5,13H,3,12H2
InChIKeyXLKBLTHANWYIMY-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds2

About 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol

3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol (PubChem CID 169453366) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
PubChem CID169453366
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
SMILESNc1c(F)cc(F)cc1C=CCO
InChIInChI=1S/C9H9F2NO/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h1-2,4-5,13H,3,12H2
InChIKeyXLKBLTHANWYIMY-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3,5-difluorophenyl)but-3-en-1-ol
CID 170476606
3-(2-amino-3,5-difluorophenyl)prop-2-ene-1-thiol
CID 169455202
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
CID 169453035
4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
CID 170476605
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
4-fluoro-2-(3-hydroxyprop-1-enyl)benzamide
CID 169453706
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
CID 169453203
(2E,4E)-5-(2,4,6-trifluorophenyl)penta-2,4-dien-1-ol
CID 151382014
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
3-(4-bromobut-1-enyl)-5-fluorobenzene-1,2-diamine
CID 170497391

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol (CID 169453366) is 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol is Nc1c(F)cc(F)cc1C=CCO.
What is the InChIKey of 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol?
The InChIKey is XLKBLTHANWYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h1-2,4-5,13H,3,12H2.
What are the key properties of 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol?
3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol has a molecular weight of 185.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).