2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol

C15H13BrF2O — CID 21406772

IUPAC2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-7,9,19H,8H2,1H3
InChIKeyUUKCYUBQTDMKCM-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.49
Rot. Bonds3

About 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol

2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol (PubChem CID 21406772) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
PubChem CID21406772
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2ccc(Br)cc2F)c(F)c1
InChIInChI=1S/C15H13BrF2O/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-7,9,19H,8H2,1H3
InChIKeyUUKCYUBQTDMKCM-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propanal
CID 21406740
3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
CID 90036441
6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol
CID 71146463
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
CID 21413849
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol?
The IUPAC name of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol (CID 21406772) is 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol?
The canonical SMILES for 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol is CC(CO)c1ccc(-c2ccc(Br)cc2F)c(F)c1.
What is the InChIKey of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol?
The InChIKey is UUKCYUBQTDMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9(8-19)10-2-4-12(14(17)6-10)13-5-3-11(16)7-15(13)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol?
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol has a molecular weight of 327.17 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol is sourced from PubChem (CID 21406772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).