1-(cyclobutylmethyl)-2-fluorobenzene

C11H13F — CID 89050192

IUPAC1-(cyclobutylmethyl)-2-fluorobenzene
SMILESFc1ccccc1CC1CCC1
InChIInChI=1S/C11H13F/c12-11-7-2-1-6-10(11)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyOBCNPVVDRMMZIH-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.17
Rot. Bonds2

About 1-(cyclobutylmethyl)-2-fluorobenzene

1-(cyclobutylmethyl)-2-fluorobenzene (PubChem CID 89050192) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-fluorobenzene
PubChem CID89050192
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-(cyclobutylmethyl)-2-fluorobenzene
SMILESFc1ccccc1CC1CCC1
InChIInChI=1S/C11H13F/c12-11-7-2-1-6-10(11)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyOBCNPVVDRMMZIH-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 105438233
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
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CID 162271587
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
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(2R)-2-[(2-fluorophenyl)methyl]pyrrolidin-1-ium
CID 7047956
2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381499
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
1-[(2-bromocyclohexyl)methyl]-2-fluorobenzene
CID 63471632
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
1-[(3-bromocyclohexyl)methyl]-2,3-difluorobenzene
CID 64507155

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-fluorobenzene?
The IUPAC name of 1-(cyclobutylmethyl)-2-fluorobenzene (CID 89050192) is 1-(cyclobutylmethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-fluorobenzene?
The canonical SMILES for 1-(cyclobutylmethyl)-2-fluorobenzene is Fc1ccccc1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-fluorobenzene?
The InChIKey is OBCNPVVDRMMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c12-11-7-2-1-6-10(11)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8H2.
What are the key properties of 1-(cyclobutylmethyl)-2-fluorobenzene?
1-(cyclobutylmethyl)-2-fluorobenzene has a molecular weight of 164.22 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-fluorobenzene is sourced from PubChem (CID 89050192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).