1-(2,6-difluorophenyl)but-3-en-2-ol

C10H10F2O — CID 115814830

IUPAC1-(2,6-difluorophenyl)but-3-en-2-ol
SMILESC=CC(O)Cc1c(F)cccc1F
InChIInChI=1S/C10H10F2O/c1-2-7(13)6-8-9(11)4-3-5-10(8)12/h2-5,7,13H,1,6H2
InChIKeyGUJXTTLOJWXNMF-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.05
Rot. Bonds3

About 1-(2,6-difluorophenyl)but-3-en-2-ol

1-(2,6-difluorophenyl)but-3-en-2-ol (PubChem CID 115814830) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)but-3-en-2-ol
PubChem CID115814830
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-(2,6-difluorophenyl)but-3-en-2-ol
SMILESC=CC(O)Cc1c(F)cccc1F
InChIInChI=1S/C10H10F2O/c1-2-7(13)6-8-9(11)4-3-5-10(8)12/h2-5,7,13H,1,6H2
InChIKeyGUJXTTLOJWXNMF-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.05
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-difluorophenyl)butane-2,3-diol
CID 103452859
1-(2-chloro-6-fluorophenyl)-4-methylpent-3-en-2-ol
CID 115817012
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
CID 101125248
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725
1-(2-ethenyl-6-fluorophenyl)propan-2-one
CID 160689152

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)but-3-en-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)but-3-en-2-ol (CID 115814830) is 1-(2,6-difluorophenyl)but-3-en-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)but-3-en-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)but-3-en-2-ol is C=CC(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)but-3-en-2-ol?
The InChIKey is GUJXTTLOJWXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-7(13)6-8-9(11)4-3-5-10(8)12/h2-5,7,13H,1,6H2.
What are the key properties of 1-(2,6-difluorophenyl)but-3-en-2-ol?
1-(2,6-difluorophenyl)but-3-en-2-ol has a molecular weight of 184.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)but-3-en-2-ol is sourced from PubChem (CID 115814830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).