1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene

C12H11FO — CID 86065255

IUPAC1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene
SMILESC=CCOCC#Cc1ccc(F)cc1
InChIInChI=1S/C12H11FO/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h2,5-8H,1,9-10H2
InChIKeyMMUYDNOKUNJCNU-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.38
Rot. Bonds3

About 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene

1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene (PubChem CID 86065255) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene
PubChem CID86065255
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene
SMILESC=CCOCC#Cc1ccc(F)cc1
InChIInChI=1S/C12H11FO/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h2,5-8H,1,9-10H2
InChIKeyMMUYDNOKUNJCNU-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-Methoxy-1-propenyl)benzene
CID 5462920
4-(4-Fluorophenyl)but-3-YN-2-OL
CID 23006384
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
but-3-ynyl (E)-3-(3,4-difluorophenyl)prop-2-enoate
CID 122188667
1-(2,4-Difluorophenyl)-3-hydroxy-4-penten-1-yne
CID 50937009
7-phenylhept-2-en-4,6-diynyl Acetate
CID 89297
(2e)-7-Phenylhepta-2-en-4,6-diyn-1-yl acetate
CID 23274467
p-Methoxypropenylbenzol
CID 27791
1-Fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 573230
3-(2-Fluorophenyl)prop-2-yn-1-ol
CID 2782696
3-(3-Fluorophenyl)prop-2-yn-1-ol
CID 2782697

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene?
The IUPAC name of 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene (CID 86065255) is 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene.
What is the SMILES notation for 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene?
The canonical SMILES for 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene is C=CCOCC#Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene?
The InChIKey is MMUYDNOKUNJCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h2,5-8H,1,9-10H2.
What are the key properties of 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene?
1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene has a molecular weight of 190.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene is sourced from PubChem (CID 86065255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).