(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol

C12H14BrF3O — CID 138750776

IUPAC(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol
SMILESC[C@H](CCCO)C(F)(F)c1cccc(Br)c1F
InChIInChI=1S/C12H14BrF3O/c1-8(4-3-7-17)12(15,16)9-5-2-6-10(13)11(9)14/h2,5-6,8,17H,3-4,7H2,1H3/t8-/m1/s1
InChIKeyWQNGBQCZXJMOHG-MRVPVSSYSA-N
MW311.14 g/mol
LogP4.09
Rot. Bonds5

About (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol

(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol (PubChem CID 138750776) has the molecular formula C12H14BrF3O and a molecular weight of 311.14 g/mol. Its IUPAC name is (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol
PubChem CID138750776
Molecular FormulaC12H14BrF3O
Molecular Weight311.14 g/mol
Exact Mass310.02
IUPAC Name(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol
SMILESC[C@H](CCCO)C(F)(F)c1cccc(Br)c1F
InChIInChI=1S/C12H14BrF3O/c1-8(4-3-7-17)12(15,16)9-5-2-6-10(13)11(9)14/h2,5-6,8,17H,3-4,7H2,1H3/t8-/m1/s1
InChIKeyWQNGBQCZXJMOHG-MRVPVSSYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
CID 155479457
1-[3-[(2R)-1,1-difluoro-5-hydroxy-2-methylpentyl]-2-fluorophenyl]ethanone
CID 138750720
2-(3-bromo-2-fluorophenyl)pentan-2-ol
CID 106644500
5-[3-(1-aminoethyl)-2-fluorophenyl]-5,5-difluoropentan-1-ol
CID 166147556
1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
4-(3-bromo-2-methylanilino)pentan-1-ol
CID 115976130
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane
CID 164918881
3-[3-[(E)-N-tert-butylsulfanyl-C-methylcarbonimidoyl]-2-fluorophenyl]-3,3-difluoro-2-methylpropan-1-ol
CID 156745497
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol?
The IUPAC name of (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol (CID 138750776) is (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol.
What is the SMILES notation for (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol?
The canonical SMILES for (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol is C[C@H](CCCO)C(F)(F)c1cccc(Br)c1F.
What is the InChIKey of (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol?
The InChIKey is WQNGBQCZXJMOHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrF3O/c1-8(4-3-7-17)12(15,16)9-5-2-6-10(13)11(9)14/h2,5-6,8,17H,3-4,7H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol?
(4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol has a molecular weight of 311.14 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3-bromo-2-fluorophenyl)-5,5-difluoro-4-methylpentan-1-ol is sourced from PubChem (CID 138750776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).