1-fluoro-4-(2,2,2-triethoxyethyl)benzene

C14H21FO3 — CID 10060972

IUPAC1-fluoro-4-(2,2,2-triethoxyethyl)benzene
SMILESCCOC(Cc1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C14H21FO3/c1-4-16-14(17-5-2,18-6-3)11-12-7-9-13(15)10-8-12/h7-10H,4-6,11H2,1-3H3
InChIKeyGEJWBGKLRMOICV-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.13
Rot. Bonds8

About 1-fluoro-4-(2,2,2-triethoxyethyl)benzene

1-fluoro-4-(2,2,2-triethoxyethyl)benzene (PubChem CID 10060972) has the molecular formula C14H21FO3 and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-fluoro-4-(2,2,2-triethoxyethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2,2,2-triethoxyethyl)benzene
PubChem CID10060972
Molecular FormulaC14H21FO3
Molecular Weight256.32 g/mol
Exact Mass256.15
IUPAC Name1-fluoro-4-(2,2,2-triethoxyethyl)benzene
SMILESCCOC(Cc1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C14H21FO3/c1-4-16-14(17-5-2,18-6-3)11-12-7-9-13(15)10-8-12/h7-10H,4-6,11H2,1-3H3
InChIKeyGEJWBGKLRMOICV-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
CID 62903326
1-(2,2-diethoxy-2-methoxyethyl)-4-methylbenzene
CID 70354396
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
CID 130370949
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
2-ethyl-2-[(4-fluorophenyl)methyl]butanenitrile
CID 82111083
1-fluoro-4-(2,2,3,3,3-pentafluoropropyl)benzene
CID 139245533
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-(4-fluorophenyl)-4,4-dimethoxy-2-methylbutan-2-ol
CID 2781108
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224
1-fluoro-4-propylbenzene
CID 2737505

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,2,2-triethoxyethyl)benzene?
The IUPAC name of 1-fluoro-4-(2,2,2-triethoxyethyl)benzene (CID 10060972) is 1-fluoro-4-(2,2,2-triethoxyethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2,2,2-triethoxyethyl)benzene?
The canonical SMILES for 1-fluoro-4-(2,2,2-triethoxyethyl)benzene is CCOC(Cc1ccc(F)cc1)(OCC)OCC.
What is the InChIKey of 1-fluoro-4-(2,2,2-triethoxyethyl)benzene?
The InChIKey is GEJWBGKLRMOICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO3/c1-4-16-14(17-5-2,18-6-3)11-12-7-9-13(15)10-8-12/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 1-fluoro-4-(2,2,2-triethoxyethyl)benzene?
1-fluoro-4-(2,2,2-triethoxyethyl)benzene has a molecular weight of 256.32 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,2,2-triethoxyethyl)benzene is sourced from PubChem (CID 10060972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).