6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol

C14H19BrF2O — CID 106273091

IUPAC6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
SMILESCC(C)(C)C(O)CCCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H19BrF2O/c1-14(2,3)12(18)6-4-5-9-11(16)8-7-10(15)13(9)17/h7-8,12,18H,4-6H2,1-3H3
InChIKeyFQFILMBPVFXWSU-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.46
Rot. Bonds4

About 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol

6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol (PubChem CID 106273091) has the molecular formula C14H19BrF2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
PubChem CID106273091
Molecular FormulaC14H19BrF2O
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
SMILESCC(C)(C)C(O)CCCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H19BrF2O/c1-14(2,3)12(18)6-4-5-9-11(16)8-7-10(15)13(9)17/h7-8,12,18H,4-6H2,1-3H3
InChIKeyFQFILMBPVFXWSU-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.46
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-bromo-3-(3-chloro-4,4-dimethylpentyl)-2,4-difluorobenzene
CID 106943580
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
4-(3-bromo-2,6-difluorophenyl)-2-methylbutanoic acid
CID 106273954
4-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-N-ethylbutan-1-amine
CID 106273011
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylpentan-2-ol
CID 106266621
3-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]butan-2-ol
CID 106264831
5-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pentanoic acid
CID 106272427

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol?
The IUPAC name of 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol (CID 106273091) is 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol.
What is the SMILES notation for 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol?
The canonical SMILES for 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol is CC(C)(C)C(O)CCCc1c(F)ccc(Br)c1F.
What is the InChIKey of 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol?
The InChIKey is FQFILMBPVFXWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2O/c1-14(2,3)12(18)6-4-5-9-11(16)8-7-10(15)13(9)17/h7-8,12,18H,4-6H2,1-3H3.
What are the key properties of 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol?
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol has a molecular weight of 321.21 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 6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 106273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).