1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one

C12H11FO2 — CID 125487739

IUPAC1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
SMILESC#CCOc1ccc(CC(C)=O)c(F)c1
InChIInChI=1S/C12H11FO2/c1-3-6-15-11-5-4-10(7-9(2)14)12(13)8-11/h1,4-5,8H,6-7H2,2H3
InChIKeyRAHOMAYHBPZFLO-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.97
Rot. Bonds4

About 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one

1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one (PubChem CID 125487739) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
PubChem CID125487739
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one
SMILESC#CCOc1ccc(CC(C)=O)c(F)c1
InChIInChI=1S/C12H11FO2/c1-3-6-15-11-5-4-10(7-9(2)14)12(13)8-11/h1,4-5,8H,6-7H2,2H3
InChIKeyRAHOMAYHBPZFLO-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.97
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-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
1-(4-prop-2-ynoxyphenyl)pentane-2,4-dione
CID 164936128
1-fluoro-2-isothiocyanato-4-prop-2-ynoxybenzene
CID 125465297
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
3-(2,6-difluoro-4-prop-2-ynoxyphenyl)propanoic acid
CID 178006970
methyl 2-(bromomethyl)-4-prop-2-ynoxybenzoate
CID 156508031
methyl 2-hydroxy-5-prop-2-ynoxybenzoate
CID 10081702
4-[3-fluoro-4-[(3-prop-2-ynoxyphenyl)methoxy]phenyl]butan-2-one
CID 59760129
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
2-(2-methylprop-1-enyl)-6-prop-2-ynoxynaphthalene
CID 170196742

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one (CID 125487739) is 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one is C#CCOc1ccc(CC(C)=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one?
The InChIKey is RAHOMAYHBPZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-3-6-15-11-5-4-10(7-9(2)14)12(13)8-11/h1,4-5,8H,6-7H2,2H3.
What are the key properties of 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one?
1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one has a molecular weight of 206.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-prop-2-ynoxyphenyl)propan-2-one is sourced from PubChem (CID 125487739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).