2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene

C13H16BrFO — CID 66322231

IUPAC2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
SMILESFc1ccc(COCC2CCCC2)cc1Br
InChIInChI=1S/C13H16BrFO/c14-12-7-11(5-6-13(12)15)9-16-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2
InChIKeyKUIXOMPGVBJCJG-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.30
Rot. Bonds4

About 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene

2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene (PubChem CID 66322231) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
PubChem CID66322231
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
SMILESFc1ccc(COCC2CCCC2)cc1Br
InChIInChI=1S/C13H16BrFO/c14-12-7-11(5-6-13(12)15)9-16-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2
InChIKeyKUIXOMPGVBJCJG-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-(2-cyclobutylethoxymethyl)-1-fluorobenzene
CID 106203749
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
CID 66324024
4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
CID 106698414
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62383927
2-bromo-5-(cyclopropylmethoxymethyl)phenol
CID 177057297
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-enoic acid
CID 76942593
1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571813
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
1-(3-bromo-4-fluorophenyl)-4-cyclopentylbutan-2-amine
CID 115818846
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene (CID 66322231) is 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene is Fc1ccc(COCC2CCCC2)cc1Br.
What is the InChIKey of 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene?
The InChIKey is KUIXOMPGVBJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c14-12-7-11(5-6-13(12)15)9-16-8-10-3-1-2-4-10/h5-7,10H,1-4,8-9H2.
What are the key properties of 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene?
2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene has a molecular weight of 287.17 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene is sourced from PubChem (CID 66322231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).