1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol

C15H19BrF2O — CID 106941217

IUPAC1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H19BrF2O/c1-9(2)10-5-7-15(19,8-6-10)13-12(17)4-3-11(16)14(13)18/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyKYZYMNVMWIZZMX-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.76
Rot. Bonds2

About 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol

1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 106941217) has the molecular formula C15H19BrF2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID106941217
Molecular FormulaC15H19BrF2O
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H19BrF2O/c1-9(2)10-5-7-15(19,8-6-10)13-12(17)4-3-11(16)14(13)18/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyKYZYMNVMWIZZMX-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.76
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)-4-(propylamino)cyclohexan-1-ol
CID 106943803
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
CID 106941435
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106941425
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 114166432
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106941537

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol (CID 106941217) is 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(c2c(F)ccc(Br)c2F)CC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KYZYMNVMWIZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2O/c1-9(2)10-5-7-15(19,8-6-10)13-12(17)4-3-11(16)14(13)18/h3-4,9-10,19H,5-8H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol?
1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 333.22 g/mol, XLogP of 4.76, 2 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)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 106941217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).