1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol

C11H12F2O — CID 115527715

IUPAC1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C11H12F2O/c1-7(2)10(14)8-4-3-5-9(6-8)11(12)13/h3-6,10-11,14H,1H2,2H3
InChIKeyRKCNKZCMJWACPD-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.23
Rot. Bonds3

About 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol

1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol (PubChem CID 115527715) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
PubChem CID115527715
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C11H12F2O/c1-7(2)10(14)8-4-3-5-9(6-8)11(12)13/h3-6,10-11,14H,1H2,2H3
InChIKeyRKCNKZCMJWACPD-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.23
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

[3-(difluoromethyl)phenyl]methanediol
CID 162564421
1-(3-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79189676
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
CID 115527641
2-[[3-(difluoromethyl)phenyl]-hydroxymethyl]-2-methylbutanenitrile
CID 113329432
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
CID 167237943
1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
1-(difluoromethyl)-3-iodobenzene
CID 46311736
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol (CID 115527715) is 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol is C=C(C)C(O)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
The InChIKey is RKCNKZCMJWACPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-7(2)10(14)8-4-3-5-9(6-8)11(12)13/h3-6,10-11,14H,1H2,2H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol?
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol has a molecular weight of 198.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 115527715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).