1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol

C13H16BrFO — CID 115822808

IUPAC1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
SMILESCC(C(O)Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C13H16BrFO/c1-8(10-2-3-10)13(16)6-9-4-11(14)7-12(15)5-9/h4-5,7-8,10,13,16H,2-3,6H2,1H3
InChIKeyNFOYUFIGFPDCJP-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.54
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol

1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol (PubChem CID 115822808) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
PubChem CID115822808
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
SMILESCC(C(O)Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C13H16BrFO/c1-8(10-2-3-10)13(16)6-9-4-11(14)7-12(15)5-9/h4-5,7-8,10,13,16H,2-3,6H2,1H3
InChIKeyNFOYUFIGFPDCJP-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
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1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
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1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
CID 112570523
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455829
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol (CID 115822808) is 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol is CC(C(O)Cc1cc(F)cc(Br)c1)C1CC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol?
The InChIKey is NFOYUFIGFPDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-8(10-2-3-10)13(16)6-9-4-11(14)7-12(15)5-9/h4-5,7-8,10,13,16H,2-3,6H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol?
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol has a molecular weight of 287.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol is sourced from PubChem (CID 115822808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).