1-(1,1-dimethoxypropyl)-4-fluorobenzene

C11H15FO2 — CID 15749461

IUPAC1-(1,1-dimethoxypropyl)-4-fluorobenzene
SMILESCCC(OC)(OC)c1ccc(F)cc1
InChIInChI=1S/C11H15FO2/c1-4-11(13-2,14-3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3
InChIKeyLKUFTORZQJTSSI-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.68
Rot. Bonds4

About 1-(1,1-dimethoxypropyl)-4-fluorobenzene

1-(1,1-dimethoxypropyl)-4-fluorobenzene (PubChem CID 15749461) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(1,1-dimethoxypropyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1,1-dimethoxypropyl)-4-fluorobenzene
PubChem CID15749461
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(1,1-dimethoxypropyl)-4-fluorobenzene
SMILESCCC(OC)(OC)c1ccc(F)cc1
InChIInChI=1S/C11H15FO2/c1-4-11(13-2,14-3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3
InChIKeyLKUFTORZQJTSSI-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
alpha-Methylbenzyl formate
CID 346286
Benzyl butyl ether
CID 61134
(Diethoxymethyl)benzene
CID 69884
Benzyl methyl ether
CID 10869
1,4-Bis(Methoxymethyl)Benzene
CID 81239
(+)-Styrene oxide
CID 114705

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxypropyl)-4-fluorobenzene?
The IUPAC name of 1-(1,1-dimethoxypropyl)-4-fluorobenzene (CID 15749461) is 1-(1,1-dimethoxypropyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1,1-dimethoxypropyl)-4-fluorobenzene?
The canonical SMILES for 1-(1,1-dimethoxypropyl)-4-fluorobenzene is CCC(OC)(OC)c1ccc(F)cc1.
What is the InChIKey of 1-(1,1-dimethoxypropyl)-4-fluorobenzene?
The InChIKey is LKUFTORZQJTSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-11(13-2,14-3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3.
What are the key properties of 1-(1,1-dimethoxypropyl)-4-fluorobenzene?
1-(1,1-dimethoxypropyl)-4-fluorobenzene has a molecular weight of 198.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxypropyl)-4-fluorobenzene is sourced from PubChem (CID 15749461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).