1-(1,1-dimethoxyethyl)-4-fluorobenzene

C10H13FO2 — CID 51040578

IUPAC1-(1,1-dimethoxyethyl)-4-fluorobenzene
SMILESCOC(C)(OC)c1ccc(F)cc1
InChIInChI=1S/C10H13FO2/c1-10(12-2,13-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKeyGAGHIOBLCXRLAX-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.29
Rot. Bonds3

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

1-(1,1-dimethoxyethyl)-4-fluorobenzene (PubChem CID 51040578) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1,1-dimethoxyethyl)-4-fluorobenzene
PubChem CID51040578
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name1-(1,1-dimethoxyethyl)-4-fluorobenzene
SMILESCOC(C)(OC)c1ccc(F)cc1
InChIInChI=1S/C10H13FO2/c1-10(12-2,13-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKeyGAGHIOBLCXRLAX-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.29
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-dimethoxyethyl)-4-fluorobenzene?
The IUPAC name of 1-(1,1-dimethoxyethyl)-4-fluorobenzene (CID 51040578) is 1-(1,1-dimethoxyethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1,1-dimethoxyethyl)-4-fluorobenzene?
The canonical SMILES for 1-(1,1-dimethoxyethyl)-4-fluorobenzene is COC(C)(OC)c1ccc(F)cc1.
What is the InChIKey of 1-(1,1-dimethoxyethyl)-4-fluorobenzene?
The InChIKey is GAGHIOBLCXRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-10(12-2,13-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3.
What are the key properties of 1-(1,1-dimethoxyethyl)-4-fluorobenzene?
1-(1,1-dimethoxyethyl)-4-fluorobenzene has a molecular weight of 184.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethyl)-4-fluorobenzene is sourced from PubChem (CID 51040578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).