[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol

C11H12BrFO — CID 66024777

IUPAC[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
SMILESOCC1(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C11H12BrFO/c12-9-5-8(1-2-10(9)13)6-11(7-14)3-4-11/h1-2,5,14H,3-4,6-7H2
InChIKeyVOZZSQMYGYWBOW-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.90
Rot. Bonds3

About [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol

[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol (PubChem CID 66024777) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
PubChem CID66024777
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
SMILESOCC1(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C11H12BrFO/c12-9-5-8(1-2-10(9)13)6-11(7-14)3-4-11/h1-2,5,14H,3-4,6-7H2
InChIKeyVOZZSQMYGYWBOW-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
1-[(3-bromo-4-fluorophenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65391381
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129
2-[1-[(3-bromo-4-fluorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441515
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
1-[(3-bromo-4-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 65376198
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
CID 106273685
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65422980

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol (CID 66024777) is [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol is OCC1(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol?
The InChIKey is VOZZSQMYGYWBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-9-5-8(1-2-10(9)13)6-11(7-14)3-4-11/h1-2,5,14H,3-4,6-7H2.
What are the key properties of [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol?
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol has a molecular weight of 259.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 66024777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).