2-(3-bromo-2-fluorophenyl)pentan-2-ol

C11H14BrFO — CID 106644500

IUPAC2-(3-bromo-2-fluorophenyl)pentan-2-ol
SMILESCCCC(C)(O)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFO/c1-3-7-11(2,14)8-5-4-6-9(12)10(8)13/h4-6,14H,3,7H2,1-2H3
InChIKeyPBFDWGGAQYYDNB-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)pentan-2-ol

2-(3-bromo-2-fluorophenyl)pentan-2-ol (PubChem CID 106644500) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)pentan-2-ol
PubChem CID106644500
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name2-(3-bromo-2-fluorophenyl)pentan-2-ol
SMILESCCCC(C)(O)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFO/c1-3-7-11(2,14)8-5-4-6-9(12)10(8)13/h4-6,14H,3,7H2,1-2H3
InChIKeyPBFDWGGAQYYDNB-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-Bromophenyl)(phenyl)methanol
CID 285827
1-(4-Bromophenyl)ethanol
CID 95352
1-(2-Bromophenyl)ethanol
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1-(3-Bromophenyl)ethanol
CID 98479
2-(2-Bromophenyl)propan-2-ol
CID 329527
1-(4-Bromophenyl)-2-methylpropan-2-ol
CID 316785
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290
(R)-1-(2-bromophenyl)ethanol
CID 2734868
(1R)-1-(3-bromophenyl)ethan-1-ol
CID 2734889
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)pentan-2-ol?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)pentan-2-ol (CID 106644500) is 2-(3-bromo-2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)pentan-2-ol?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)pentan-2-ol is CCCC(C)(O)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)pentan-2-ol?
The InChIKey is PBFDWGGAQYYDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-3-7-11(2,14)8-5-4-6-9(12)10(8)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)pentan-2-ol?
2-(3-bromo-2-fluorophenyl)pentan-2-ol has a molecular weight of 261.13 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 106644500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).