4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol

C11H10F2O — CID 23006406

IUPAC4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc(F)ccc1F
InChIInChI=1S/C11H10F2O/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-4,7,14H,1-2H3
InChIKeyVCKBGSAHTUBRLP-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.09
Rot. Bonds

About 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol

4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol (PubChem CID 23006406) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
PubChem CID23006406
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc(F)ccc1F
InChIInChI=1S/C11H10F2O/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-4,7,14H,1-2H3
InChIKeyVCKBGSAHTUBRLP-UHFFFAOYSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.09
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

4-[4-(3,4-difluorophenyl)-2-fluorophenyl]-2-methylbut-3-yn-2-ol
CID 135307691
4-(2,5-dichlorophenyl)-2-methylbut-3-yn-2-ol
CID 23006409
4-(2-amino-5-chlorophenyl)-2-methylbut-3-yn-2-ol
CID 130019487
4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997891
4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol
CID 66783994
1-(5-fluoro-2-methoxyphenyl)-3-methylpent-1-yn-3-ol
CID 146003407
1-(2,5-difluorophenyl)pent-1-yn-3-amine
CID 106225731
4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol
CID 21322350
4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003482
4-(4-fluoro-2-methylphenyl)-2-methylbut-3-yn-2-amine
CID 63997278
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
2-methyl-4-[2,3,5,6-tetrafluoro-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]but-3-yn-2-ol
CID 19871683

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol (CID 23006406) is 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol?
The InChIKey is VCKBGSAHTUBRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-4,7,14H,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol?
4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol has a molecular weight of 196.20 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 23006406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).