[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate

C11H9FO2 — CID 101256864

IUPAC[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate
SMILESC#C[C@@H](OC(C)=O)c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h1,4-7,11H,2H3/t11-/m1/s1
InChIKeyDRLQMIPBBHWQGP-LLVKDONJSA-N
MW192.19 g/mol
LogP2.06
Rot. Bonds2

About [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate

[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate (PubChem CID 101256864) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate
PubChem CID101256864
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate
SMILESC#C[C@@H](OC(C)=O)c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h1,4-7,11H,2H3/t11-/m1/s1
InChIKeyDRLQMIPBBHWQGP-LLVKDONJSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyanophenyl)prop-2-ynyl acetate
CID 85427514
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
1-(3,5-dimethoxyphenyl)prop-2-ynyl acetate
CID 101441371
[(4-fluorophenyl)-(2,3,3-trimethylcyclopropen-1-yl)methyl] acetate
CID 53381416
[(4-fluorophenyl)-(3-hydroxypropylamino)methyl] acetate
CID 151785580
[(R)-cyano-(3-fluorophenyl)methyl] acetate
CID 14451527
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
[(E)-1,1-bis(4-fluorophenyl)propan-2-ylideneamino] acetate
CID 135077099
CID 89318743
CID 89318743
(2R)-2-(4-fluorophenyl)propanoate
CID 7005039
[(1R,2S)-1-(4-fluorophenyl)-2-(methylamino)-3-oxo-3-phenylpropyl] acetate
CID 914632

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate (CID 101256864) is [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate is C#C[C@@H](OC(C)=O)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate?
The InChIKey is DRLQMIPBBHWQGP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9FO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h1,4-7,11H,2H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate?
[(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate has a molecular weight of 192.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)prop-2-ynyl] acetate is sourced from PubChem (CID 101256864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).