4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene

C15H19FO — CID 83944195

IUPAC4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
SMILESCC#CC(C)Cc1cc(F)ccc1OCCC
InChIInChI=1S/C15H19FO/c1-4-6-12(3)10-13-11-14(16)7-8-15(13)17-9-5-2/h7-8,11-12H,5,9-10H2,1-3H3
InChIKeyCQAWBXPCWSBOLB-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.82
Rot. Bonds5

About 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene

4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene (PubChem CID 83944195) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene.

Molecular Properties

Compound Name4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
PubChem CID83944195
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
SMILESCC#CC(C)Cc1cc(F)ccc1OCCC
InChIInChI=1S/C15H19FO/c1-4-6-12(3)10-13-11-14(16)7-8-15(13)17-9-5-2/h7-8,11-12H,5,9-10H2,1-3H3
InChIKeyCQAWBXPCWSBOLB-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
CID 107700673
5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
4-(5-fluoro-2-propoxyphenyl)-3-methylbutanethioamide
CID 83944175
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
4-chloro-2-(2-methylbut-3-ynyl)-1-propoxybenzene
CID 83933419
1-fluoro-4,5-dimethoxy-2-(2-methylpent-3-ynyl)benzene
CID 83922757
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene?
The IUPAC name of 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene (CID 83944195) is 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene.
What is the SMILES notation for 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene?
The canonical SMILES for 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene is CC#CC(C)Cc1cc(F)ccc1OCCC.
What is the InChIKey of 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene?
The InChIKey is CQAWBXPCWSBOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-4-6-12(3)10-13-11-14(16)7-8-15(13)17-9-5-2/h7-8,11-12H,5,9-10H2,1-3H3.
What are the key properties of 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene?
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene has a molecular weight of 234.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene is sourced from PubChem (CID 83944195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).