1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol

C10H10F2O — CID 79190349

IUPAC1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-5,10,13H,1H2,2H3
InChIKeyFDCPGXXQXBXLPR-UHFFFAOYSA-N
MW184.18 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol

1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 79190349) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol
PubChem CID79190349
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-5,10,13H,1H2,2H3
InChIKeyFDCPGXXQXBXLPR-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol 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-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
3-[(S)-(2-fluorophenyl)-hydroxymethyl]but-3-en-2-one
CID 130607849
1-(2,3-difluorophenyl)-2-methoxypropan-1-ol
CID 79617746
(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608
1-(2,3-difluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63989633
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950
(2,3-difluorophenyl)-hydroxymethanesulfonic acid
CID 103574207
1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
CID 115817481
(1S,3R)-3-amino-1-(2,3-difluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237359

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol (CID 79190349) is 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is FDCPGXXQXBXLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-6(2)10(13)7-4-3-5-8(11)9(7)12/h3-5,10,13H,1H2,2H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol?
1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 184.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79190349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).