2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene

C14H19FO — CID 145227479

IUPAC2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(F)c(OCC(C)(C)C)c1
InChIInChI=1S/C14H19FO/c1-10(2)11-6-7-12(15)13(8-11)16-9-14(3,4)5/h6-8H,1,9H2,2-5H3
InChIKeyLUTFATAMABMUPK-UHFFFAOYSA-N
MW222.30 g/mol
LogP4.28
Rot. Bonds3

About 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene

2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene (PubChem CID 145227479) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene
PubChem CID145227479
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(F)c(OCC(C)(C)C)c1
InChIInChI=1S/C14H19FO/c1-10(2)11-6-7-12(15)13(8-11)16-9-14(3,4)5/h6-8H,1,9H2,2-5H3
InChIKeyLUTFATAMABMUPK-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropoxy)-1-fluoro-4-propoxybenzene
CID 170603618
methyl 4-fluoro-3-(2-methylprop-2-enoxy)benzoate
CID 58566490
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
1-(3-ethoxy-4-fluorophenyl)-2,2,2-trifluoroethanone
CID 91656438
4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 131617153
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103067314
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
2-(2,2-dimethylpropoxy)benzene-1,4-diol
CID 18618620

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene (CID 145227479) is 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(F)c(OCC(C)(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene?
The InChIKey is LUTFATAMABMUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10(2)11-6-7-12(15)13(8-11)16-9-14(3,4)5/h6-8H,1,9H2,2-5H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene?
2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene has a molecular weight of 222.30 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-1-fluoro-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 145227479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).