1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol

C11H11F2NO — CID 60903531

IUPAC1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO/c1-2-5-14-7-11(15)8-3-4-9(12)10(13)6-8/h1,3-4,6,11,14-15H,5,7H2
InChIKeyPTCOXKJILPSTOF-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.22
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol

1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol (PubChem CID 60903531) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
PubChem CID60903531
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO/c1-2-5-14-7-11(15)8-3-4-9(12)10(13)6-8/h1,3-4,6,11,14-15H,5,7H2
InChIKeyPTCOXKJILPSTOF-UHFFFAOYSA-N
XLogP1.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
CID 62991182
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
1-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cycloheptan-1-ol
CID 60763044
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol (CID 60903531) is 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol is C#CCNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
The InChIKey is PTCOXKJILPSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-2-5-14-7-11(15)8-3-4-9(12)10(13)6-8/h1,3-4,6,11,14-15H,5,7H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol has a molecular weight of 211.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol is sourced from PubChem (CID 60903531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).