1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol

C14H17BrF2O — CID 106265631

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
SMILESCC(O)(Cc1c(F)ccc(Br)c1F)CC1CCC1
InChIInChI=1S/C14H17BrF2O/c1-14(18,7-9-3-2-4-9)8-10-12(16)6-5-11(15)13(10)17/h5-6,9,18H,2-4,7-8H2,1H3
InChIKeyHWSCGOOYEOQZRC-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.21
Rot. Bonds4

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

1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol (PubChem CID 106265631) has the molecular formula C14H17BrF2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
PubChem CID106265631
Molecular FormulaC14H17BrF2O
Molecular Weight319.19 g/mol
Exact Mass318.04
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
SMILESCC(O)(Cc1c(F)ccc(Br)c1F)CC1CCC1
InChIInChI=1S/C14H17BrF2O/c1-14(18,7-9-3-2-4-9)8-10-12(16)6-5-11(15)13(10)17/h5-6,9,18H,2-4,7-8H2,1H3
InChIKeyHWSCGOOYEOQZRC-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.21
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-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106273079
N-[3-(3-bromo-2,6-difluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 106271813
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 102857046
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 106271907
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-(3-bromo-2,6-difluorophenyl)-1-cyclobutylethanone
CID 106266083
1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol (CID 106265631) is 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol is CC(O)(Cc1c(F)ccc(Br)c1F)CC1CCC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
The InChIKey is HWSCGOOYEOQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2O/c1-14(18,7-9-3-2-4-9)8-10-12(16)6-5-11(15)13(10)17/h5-6,9,18H,2-4,7-8H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol has a molecular weight of 319.19 g/mol, XLogP of 4.21, 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-cyclobutyl-2-methylpropan-2-ol is sourced from PubChem (CID 106265631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).