1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene

C11H15FO2 — CID 90993757

IUPAC1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(C)(C)F)c1
InChIInChI=1S/C11H15FO2/c1-11(2,12)8-5-9(13-3)7-10(6-8)14-4/h5-7H,1-4H3
InChIKeyQSYLZHMSUFAIHM-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene

1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene (PubChem CID 90993757) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
PubChem CID90993757
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(C)(C)F)c1
InChIInChI=1S/C11H15FO2/c1-11(2,12)8-5-9(13-3)7-10(6-8)14-4/h5-7H,1-4H3
InChIKeyQSYLZHMSUFAIHM-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 144886169
1,3-dimethoxy-5-(trimethoxymethyl)benzene
CID 103399645
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
3-methoxy-5-(trifluoromethyl)benzenesulfonamide
CID 134627197
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
CID 84714628

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene?
The IUPAC name of 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene (CID 90993757) is 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene?
The canonical SMILES for 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene is COc1cc(OC)cc(C(C)(C)F)c1.
What is the InChIKey of 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene?
The InChIKey is QSYLZHMSUFAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-11(2,12)8-5-9(13-3)7-10(6-8)14-4/h5-7H,1-4H3.
What are the key properties of 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene?
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene has a molecular weight of 198.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene is sourced from PubChem (CID 90993757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).