1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene

C12H15FO — CID 84720329

IUPAC1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
SMILESCOc1cccc(CC2(F)CCC2)c1
InChIInChI=1S/C12H15FO/c1-14-11-5-2-4-10(8-11)9-12(13)6-3-7-12/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyWWOSVHTTWDMEPP-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.13
Rot. Bonds3

About 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene

1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene (PubChem CID 84720329) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
PubChem CID84720329
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
SMILESCOc1cccc(CC2(F)CCC2)c1
InChIInChI=1S/C12H15FO/c1-14-11-5-2-4-10(8-11)9-12(13)6-3-7-12/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyWWOSVHTTWDMEPP-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
3-[(1-fluorocyclobutyl)methyl]phenol
CID 84718365
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene?
The IUPAC name of 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene (CID 84720329) is 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene?
The canonical SMILES for 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene is COc1cccc(CC2(F)CCC2)c1.
What is the InChIKey of 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene?
The InChIKey is WWOSVHTTWDMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-14-11-5-2-4-10(8-11)9-12(13)6-3-7-12/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene?
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene has a molecular weight of 194.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene is sourced from PubChem (CID 84720329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).