[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H15BrFNO — CID 60584720

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyAWDTUTQWPZOZRQ-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.54
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 60584720) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID60584720
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyAWDTUTQWPZOZRQ-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 60684893
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926963
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
CID 116634283
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 43187006
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
1-[(4-bromo-2-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750691

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 60584720) is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc(Br)cc1F.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is AWDTUTQWPZOZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-4-3-9(12(14)6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 60584720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).