2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene

C14H21FO2 — CID 170603618

IUPAC2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene
SMILESCCCOc1ccc(F)c(OCC(C)(C)C)c1
InChIInChI=1S/C14H21FO2/c1-5-8-16-11-6-7-12(15)13(9-11)17-10-14(2,3)4/h6-7,9H,5,8,10H2,1-4H3
InChIKeyDMGCBXAACSRBJJ-UHFFFAOYSA-N
MW240.32 g/mol
LogP4.04
Rot. Bonds5

About 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene

2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene (PubChem CID 170603618) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene
PubChem CID170603618
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene
SMILESCCCOc1ccc(F)c(OCC(C)(C)C)c1
InChIInChI=1S/C14H21FO2/c1-5-8-16-11-6-7-12(15)13(9-11)17-10-14(2,3)4/h6-7,9H,5,8,10H2,1-4H3
InChIKeyDMGCBXAACSRBJJ-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene
CID 145227479
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171366377
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
2-(4-fluoro-3-methoxyphenoxy)ethanamine
CID 83697045
1-(2-fluoro-5-propoxyphenyl)ethanone
CID 83988784
2-chloro-6-propoxynaphthalene
CID 125116367
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
(4-fluoro-3-propoxyphenyl)methylidenehydrazine
CID 168529277
1-tert-butyl-4-propoxy-2-(trifluoromethyl)benzene
CID 20605028
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene?
The IUPAC name of 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene (CID 170603618) is 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene is CCCOc1ccc(F)c(OCC(C)(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene?
The InChIKey is DMGCBXAACSRBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-5-8-16-11-6-7-12(15)13(9-11)17-10-14(2,3)4/h6-7,9H,5,8,10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene?
2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene has a molecular weight of 240.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene is sourced from PubChem (CID 170603618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).