1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol

C15H11BrF4O — CID 106274453

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
SMILESOC(Cc1cccc(F)c1F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H11BrF4O/c16-11-4-5-12(17)10(15(11)20)7-9(21)6-8-2-1-3-13(18)14(8)19/h1-5,9,21H,6-7H2
InChIKeyCTHOKDHNRGAPRC-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol (PubChem CID 106274453) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
PubChem CID106274453
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
SMILESOC(Cc1cccc(F)c1F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H11BrF4O/c16-11-4-5-12(17)10(15(11)20)7-9(21)6-8-2-1-3-13(18)14(8)19/h1-5,9,21H,6-7H2
InChIKeyCTHOKDHNRGAPRC-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol (CID 106274453) is 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol is OC(Cc1cccc(F)c1F)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol?
The InChIKey is CTHOKDHNRGAPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c16-11-4-5-12(17)10(15(11)20)7-9(21)6-8-2-1-3-13(18)14(8)19/h1-5,9,21H,6-7H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol has a molecular weight of 363.15 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol is sourced from PubChem (CID 106274453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).