1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene

C14H18BrFO — CID 65001094

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene
SMILESFc1ccccc1COCC1(CBr)CCCC1
InChIInChI=1S/C14H18BrFO/c15-10-14(7-3-4-8-14)11-17-9-12-5-1-2-6-13(12)16/h1-2,5-6H,3-4,7-11H2
InChIKeyBJBRESDXNRKMMH-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.30
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene

1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene (PubChem CID 65001094) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene
PubChem CID65001094
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene
SMILESFc1ccccc1COCC1(CBr)CCCC1
InChIInChI=1S/C14H18BrFO/c15-10-14(7-3-4-8-14)11-17-9-12-5-1-2-6-13(12)16/h1-2,5-6H,3-4,7-11H2
InChIKeyBJBRESDXNRKMMH-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-fluorophenyl)methoxymethyl]cyclohexyl]methanesulfonyl chloride
CID 65006748
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,3-difluorobenzene
CID 66048663
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
CID 65007480
5-[[1-(bromomethyl)cyclohexyl]methoxymethyl]-1,3-benzodioxole
CID 65001893
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
[1-[(2-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 82826839
1-(bromomethyl)-1-(3-phenylprop-2-enoxymethyl)cycloheptane
CID 77052675
[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 63932845

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene (CID 65001094) is 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene is Fc1ccccc1COCC1(CBr)CCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene?
The InChIKey is BJBRESDXNRKMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c15-10-14(7-3-4-8-14)11-17-9-12-5-1-2-6-13(12)16/h1-2,5-6H,3-4,7-11H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene?
1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene has a molecular weight of 301.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxymethyl]-2-fluorobenzene is sourced from PubChem (CID 65001094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).