[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol

C13H15BrF2O — CID 106273685

IUPAC[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C13H15BrF2O/c14-10-3-4-11(15)9(12(10)16)7-13(8-17)5-1-2-6-13/h3-4,17H,1-2,5-8H2
InChIKeyRFUJONSIRDGBTP-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.82
Rot. Bonds3

About [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol

[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol (PubChem CID 106273685) has the molecular formula C13H15BrF2O and a molecular weight of 305.16 g/mol. Its IUPAC name is [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
PubChem CID106273685
Molecular FormulaC13H15BrF2O
Molecular Weight305.16 g/mol
Exact Mass304.03
IUPAC Name[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2c(F)ccc(Br)c2F)CCCC1
InChIInChI=1S/C13H15BrF2O/c14-10-3-4-11(15)9(12(10)16)7-13(8-17)5-1-2-6-13/h3-4,17H,1-2,5-8H2
InChIKeyRFUJONSIRDGBTP-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 106271386
1-[(3-bromo-2,6-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 106264797
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoropiperidine
CID 106273472
3-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 114165872
1-[1-(aminomethyl)cyclohexyl]-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272814
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
2-(3-bromo-2,6-difluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106266312
4-amino-1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106265494
1-(1-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272523

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol (CID 106273685) is [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol is OCC1(Cc2c(F)ccc(Br)c2F)CCCC1.
What is the InChIKey of [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol?
The InChIKey is RFUJONSIRDGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2O/c14-10-3-4-11(15)9(12(10)16)7-13(8-17)5-1-2-6-13/h3-4,17H,1-2,5-8H2.
What are the key properties of [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol?
[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol has a molecular weight of 305.16 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 106273685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).