1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol

C11H11F2NO — CID 60903674

IUPAC1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO/c1-2-6-14-7-10(15)11-8(12)4-3-5-9(11)13/h1,3-5,10,14-15H,6-7H2
InChIKeyVATCMPNDPQZXHQ-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.22
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol

1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol (PubChem CID 60903674) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
PubChem CID60903674
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
SMILESC#CCNCC(O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO/c1-2-6-14-7-10(15)11-8(12)4-3-5-9(11)13/h1,3-5,10,14-15H,6-7H2
InChIKeyVATCMPNDPQZXHQ-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-(2,6-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

2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol (CID 60903674) is 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol is C#CCNCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
The InChIKey is VATCMPNDPQZXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-2-6-14-7-10(15)11-8(12)4-3-5-9(11)13/h1,3-5,10,14-15H,6-7H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol?
1-(2,6-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-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol is sourced from PubChem (CID 60903674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).