1-(2,5-difluorophenyl)pent-3-yn-1-ol

C11H10F2O — CID 63673084

IUPAC1-(2,5-difluorophenyl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2O/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7,11,14H,4H2,1H3
InChIKeyBQQZRWZMPLVYJU-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.41
Rot. Bonds2

About 1-(2,5-difluorophenyl)pent-3-yn-1-ol

1-(2,5-difluorophenyl)pent-3-yn-1-ol (PubChem CID 63673084) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)pent-3-yn-1-ol
PubChem CID63673084
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(2,5-difluorophenyl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2O/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7,11,14H,4H2,1H3
InChIKeyBQQZRWZMPLVYJU-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.41
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-(2-bromo-5-fluorophenyl)pent-3-yn-1-ol
CID 115779984
1-(4-chloro-2,5-difluorophenyl)pent-3-yn-1-ol
CID 115780031
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
1-(2,5-difluorophenyl)hex-4-yn-1-amine
CID 104805650
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
1-(5-bromo-2-fluorophenyl)hex-4-yn-1-ol
CID 104809446

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)pent-3-yn-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)pent-3-yn-1-ol (CID 63673084) is 1-(2,5-difluorophenyl)pent-3-yn-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)pent-3-yn-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)pent-3-yn-1-ol is CC#CCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)pent-3-yn-1-ol?
The InChIKey is BQQZRWZMPLVYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-2-3-4-11(14)9-7-8(12)5-6-10(9)13/h5-7,11,14H,4H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)pent-3-yn-1-ol?
1-(2,5-difluorophenyl)pent-3-yn-1-ol has a molecular weight of 196.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)pent-3-yn-1-ol is sourced from PubChem (CID 63673084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).