1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol

C16H19BrF2O — CID 106274498

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1c(F)ccc(Br)c1F)CC1CC2CCC1C2
InChIInChI=1S/C16H19BrF2O/c17-14-3-4-15(18)13(16(14)19)8-12(20)7-11-6-9-1-2-10(11)5-9/h3-4,9-12,20H,1-2,5-8H2
InChIKeyVJYPJJVHVCFZQU-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.46
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol (PubChem CID 106274498) has the molecular formula C16H19BrF2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol
PubChem CID106274498
Molecular FormulaC16H19BrF2O
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1c(F)ccc(Br)c1F)CC1CC2CCC1C2
InChIInChI=1S/C16H19BrF2O/c17-14-3-4-15(18)13(16(14)19)8-12(20)7-11-6-9-1-2-10(11)5-9/h3-4,9-12,20H,1-2,5-8H2
InChIKeyVJYPJJVHVCFZQU-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
CID 55224817
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(2-bicyclo[2.2.1]heptanyl)-3-(5-bromo-2-fluorophenyl)propan-2-amine
CID 115839806
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3-bicyclo[3.1.0]hexanyl)-2-(3-bromo-2,6-difluorophenyl)ethanamine
CID 106273642
[2-(3-bromo-2,6-difluorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethyl]hydrazine
CID 106271705
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
CID 105020691
1-(3-bromo-2,6-difluorophenyl)-5-ethoxypentan-2-ol
CID 106274424
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol (CID 106274498) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol is OC(Cc1c(F)ccc(Br)c1F)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol?
The InChIKey is VJYPJJVHVCFZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF2O/c17-14-3-4-15(18)13(16(14)19)8-12(20)7-11-6-9-1-2-10(11)5-9/h3-4,9-12,20H,1-2,5-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol has a molecular weight of 345.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 106274498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).