4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene

C12H15FO — CID 165178047

IUPAC4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C2CC2(C)C)cc1F
InChIInChI=1S/C12H15FO/c1-12(2)7-9(12)8-4-5-11(14-3)10(13)6-8/h4-6,9H,7H2,1-3H3
InChIKeyMWQIOGLZHVHZSH-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.35
Rot. Bonds2

About 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene

4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene (PubChem CID 165178047) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
PubChem CID165178047
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C2CC2(C)C)cc1F
InChIInChI=1S/C12H15FO/c1-12(2)7-9(12)8-4-5-11(14-3)10(13)6-8/h4-6,9H,7H2,1-3H3
InChIKeyMWQIOGLZHVHZSH-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
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1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene (CID 165178047) is 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene is COc1ccc(C2CC2(C)C)cc1F.
What is the InChIKey of 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene?
The InChIKey is MWQIOGLZHVHZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-12(2)7-9(12)8-4-5-11(14-3)10(13)6-8/h4-6,9H,7H2,1-3H3.
What are the key properties of 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene?
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene has a molecular weight of 194.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 165178047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).