1-bromo-4-[cyclopentyl(fluoro)methyl]benzene

C12H14BrF — CID 115047951

IUPAC1-bromo-4-[cyclopentyl(fluoro)methyl]benzene
SMILESFC(c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C12H14BrF/c13-11-7-5-10(6-8-11)12(14)9-3-1-2-4-9/h5-9,12H,1-4H2
InChIKeySINKLHLLEOMHRS-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.65
Rot. Bonds2

About 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene

1-bromo-4-[cyclopentyl(fluoro)methyl]benzene (PubChem CID 115047951) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[cyclopentyl(fluoro)methyl]benzene
PubChem CID115047951
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name1-bromo-4-[cyclopentyl(fluoro)methyl]benzene
SMILESFC(c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C12H14BrF/c13-11-7-5-10(6-8-11)12(14)9-3-1-2-4-9/h5-9,12H,1-4H2
InChIKeySINKLHLLEOMHRS-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 163833868
2-(4-bromophenyl)-2-cyclobutylacetaldehyde
CID 115047072
ethyl (2S)-2-(4-bromophenyl)-2-cyclopentylacetate
CID 124638237
2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
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[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
CID 83856209
1-(4-bromophenyl)-3-cyclohexyl-3-hydroxypropane-1-sulfonic acid
CID 139914843
4-[fluoro(phenyl)methyl]azepane
CID 84722518
1-bromo-4-(1-cyclohexylethoxy)benzene
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CID 22503006

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene?
The IUPAC name of 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene (CID 115047951) is 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene?
The canonical SMILES for 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene is FC(c1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene?
The InChIKey is SINKLHLLEOMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF/c13-11-7-5-10(6-8-11)12(14)9-3-1-2-4-9/h5-9,12H,1-4H2.
What are the key properties of 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene?
1-bromo-4-[cyclopentyl(fluoro)methyl]benzene has a molecular weight of 257.15 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[cyclopentyl(fluoro)methyl]benzene is sourced from PubChem (CID 115047951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).