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

C10H10F2O — CID 101125248

IUPAC(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1c(F)cccc1F
InChIInChI=1S/C10H10F2O/c1-2-4-9(13)10-7(11)5-3-6-8(10)12/h2-3,5-6,9,13H,1,4H2/t9-/m1/s1
InChIKeyDYEBRKBIVYNGMM-SECBINFHSA-N
MW184.19 g/mol
LogP2.57
Rot. Bonds3

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

(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol (PubChem CID 101125248) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
PubChem CID101125248
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
SMILESC=CC[C@@H](O)c1c(F)cccc1F
InChIInChI=1S/C10H10F2O/c1-2-4-9(13)10-7(11)5-3-6-8(10)12/h2-3,5-6,9,13H,1,4H2/t9-/m1/s1
InChIKeyDYEBRKBIVYNGMM-SECBINFHSA-N
XLogP2.57
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 ≤ 52.57
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-4-methylphenyl)but-3-en-1-ol
CID 130927584
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
CID 79522636
1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
3-(2,6-difluorophenyl)-3-hydroxypropanenitrile
CID 79118056
1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine
CID 65380173
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
N-[1-(2,6-difluorophenyl)ethyl]but-3-en-1-amine
CID 115900114
(1R)-1-(3-chloro-4-fluorophenyl)but-3-en-1-ol
CID 95011857
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol?
The IUPAC name of (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol (CID 101125248) is (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol.
What is the SMILES notation for (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol?
The canonical SMILES for (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol is C=CC[C@@H](O)c1c(F)cccc1F.
What is the InChIKey of (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol?
The InChIKey is DYEBRKBIVYNGMM-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-4-9(13)10-7(11)5-3-6-8(10)12/h2-3,5-6,9,13H,1,4H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol?
(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol has a molecular weight of 184.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 101125248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).