1-(3,4-difluorophenyl)pent-4-yn-2-ol

C11H10F2O — CID 115839997

IUPAC1-(3,4-difluorophenyl)pent-4-yn-2-ol
SMILESC#CCC(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2O/c1-2-3-9(14)6-8-4-5-10(12)11(13)7-8/h1,4-5,7,9,14H,3,6H2
InChIKeyMYMHGHFLWSVFEU-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.89
Rot. Bonds3

About 1-(3,4-difluorophenyl)pent-4-yn-2-ol

1-(3,4-difluorophenyl)pent-4-yn-2-ol (PubChem CID 115839997) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)pent-4-yn-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)pent-4-yn-2-ol
PubChem CID115839997
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(3,4-difluorophenyl)pent-4-yn-2-ol
SMILESC#CCC(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2O/c1-2-3-9(14)6-8-4-5-10(12)11(13)7-8/h1,4-5,7,9,14H,3,6H2
InChIKeyMYMHGHFLWSVFEU-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-(3,4-dimethoxyphenyl)pent-4-yn-2-ol
CID 62234963
1-(3,4-difluorophenyl)but-3-yn-2-amine
CID 104995733
3-(3,4-difluorophenyl)-2-hydroxypropanenitrile
CID 141475699
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
3-amino-1-(3,4-difluorophenyl)hex-5-yn-2-one
CID 116606719
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-(3,4-difluorophenyl)-4,6,6-trimethylheptan-2-ol
CID 115829363

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)pent-4-yn-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)pent-4-yn-2-ol (CID 115839997) is 1-(3,4-difluorophenyl)pent-4-yn-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)pent-4-yn-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)pent-4-yn-2-ol is C#CCC(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)pent-4-yn-2-ol?
The InChIKey is MYMHGHFLWSVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-2-3-9(14)6-8-4-5-10(12)11(13)7-8/h1,4-5,7,9,14H,3,6H2.
What are the key properties of 1-(3,4-difluorophenyl)pent-4-yn-2-ol?
1-(3,4-difluorophenyl)pent-4-yn-2-ol has a molecular weight of 196.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)pent-4-yn-2-ol is sourced from PubChem (CID 115839997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).