1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C14H17BrFNO — CID 82855647

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(Cc2cc(F)ccc2Br)CCN2CCCC21
InChIInChI=1S/C14H17BrFNO/c15-12-4-3-11(16)8-10(12)9-14(18)5-7-17-6-1-2-13(14)17/h3-4,8,13,18H,1-2,5-7,9H2
InChIKeySGUAUTBEFPRLDM-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.73
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82855647) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82855647
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(Cc2cc(F)ccc2Br)CCN2CCCC21
InChIInChI=1S/C14H17BrFNO/c15-12-4-3-11(16)8-10(12)9-14(18)5-7-17-6-1-2-13(14)17/h3-4,8,13,18H,1-2,5-7,9H2
InChIKeySGUAUTBEFPRLDM-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
1-[(2-bromo-5-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314859
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
4-[(2-bromo-5-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 65153990
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147531
1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 83171533
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropane-1-sulfonyl chloride
CID 165490514
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55086252

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82855647) is 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(Cc2cc(F)ccc2Br)CCN2CCCC21.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is SGUAUTBEFPRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-12-4-3-11(16)8-10(12)9-14(18)5-7-17-6-1-2-13(14)17/h3-4,8,13,18H,1-2,5-7,9H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 314.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82855647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).