3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol

C9H9F2NO — CID 169453360

IUPAC3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
SMILESNc1ccc(F)c(C=CCO)c1F
InChIInChI=1S/C9H9F2NO/c10-7-3-4-8(12)9(11)6(7)2-1-5-13/h1-4,13H,5,12H2
InChIKeyPKMZPKUTMNBFDW-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds2

About 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol

3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol (PubChem CID 169453360) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
PubChem CID169453360
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
SMILESNc1ccc(F)c(C=CCO)c1F
InChIInChI=1S/C9H9F2NO/c10-7-3-4-8(12)9(11)6(7)2-1-5-13/h1-4,13H,5,12H2
InChIKeyPKMZPKUTMNBFDW-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol (CID 169453360) is 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol is Nc1ccc(F)c(C=CCO)c1F.
What is the InChIKey of 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol?
The InChIKey is PKMZPKUTMNBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-7-3-4-8(12)9(11)6(7)2-1-5-13/h1-4,13H,5,12H2.
What are the key properties of 3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol?
3-(3-amino-2,6-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-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).