1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol

C10H10F2O — CID 115814951

IUPAC1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C10H10F2O/c1-3-8(13)9-7(11)5-4-6(2)10(9)12/h3-5,8,13H,1H2,2H3
InChIKeyGJJDHSFQZMJTAS-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.49
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol

1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol (PubChem CID 115814951) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
PubChem CID115814951
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C10H10F2O/c1-3-8(13)9-7(11)5-4-6(2)10(9)12/h3-5,8,13H,1H2,2H3
InChIKeyGJJDHSFQZMJTAS-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
CID 115817481
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
CID 171366869
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
2-ethenyl-1,3-difluoro-4-methylbenzene
CID 134441923
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(1S,2R)-1-amino-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131531644

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol (CID 115814951) is 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol is C=CC(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol?
The InChIKey is GJJDHSFQZMJTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-3-8(13)9-7(11)5-4-6(2)10(9)12/h3-5,8,13H,1H2,2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol?
1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol has a molecular weight of 184.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 115814951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).