4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol

C10H11F2NO — CID 170476602

IUPAC4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
SMILESNc1cc(F)c(F)cc1C=CCCO
InChIInChI=1S/C10H11F2NO/c11-8-5-7(3-1-2-4-14)10(13)6-9(8)12/h1,3,5-6,14H,2,4,13H2
InChIKeyYYIKTFRSBMYXCQ-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.94
Rot. Bonds3

About 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol

4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol (PubChem CID 170476602) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
PubChem CID170476602
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
SMILESNc1cc(F)c(F)cc1C=CCCO
InChIInChI=1S/C10H11F2NO/c11-8-5-7(3-1-2-4-14)10(13)6-9(8)12/h1,3,5-6,14H,2,4,13H2
InChIKeyYYIKTFRSBMYXCQ-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.94
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 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol?
The IUPAC name of 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol (CID 170476602) is 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol?
The canonical SMILES for 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol is Nc1cc(F)c(F)cc1C=CCCO.
What is the InChIKey of 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol?
The InChIKey is YYIKTFRSBMYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-5-7(3-1-2-4-14)10(13)6-9(8)12/h1,3,5-6,14H,2,4,13H2.
What are the key properties of 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol?
4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol has a molecular weight of 199.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 170476602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).