(5R)-1-bromo-2,3,5-trifluorocyclohexane

C6H8BrF3 — CID 146282305

IUPAC(5R)-1-bromo-2,3,5-trifluorocyclohexane
SMILESFC1C[C@@H](F)CC(Br)C1F
InChIInChI=1S/C6H8BrF3/c7-4-1-3(8)2-5(9)6(4)10/h3-6H,1-2H2/t3-,4?,5?,6?/m0/s1
InChIKeyCQARAODQRZWMRC-ALMVMMGASA-N
MW217.03 g/mol
LogP2.56
Rot. Bonds

About (5R)-1-bromo-2,3,5-trifluorocyclohexane

(5R)-1-bromo-2,3,5-trifluorocyclohexane (PubChem CID 146282305) has the molecular formula C6H8BrF3 and a molecular weight of 217.03 g/mol. Its IUPAC name is (5R)-1-bromo-2,3,5-trifluorocyclohexane.

Molecular Properties

Compound Name(5R)-1-bromo-2,3,5-trifluorocyclohexane
PubChem CID146282305
Molecular FormulaC6H8BrF3
Molecular Weight217.03 g/mol
Exact Mass215.98
IUPAC Name(5R)-1-bromo-2,3,5-trifluorocyclohexane
SMILESFC1C[C@@H](F)CC(Br)C1F
InChIInChI=1S/C6H8BrF3/c7-4-1-3(8)2-5(9)6(4)10/h3-6H,1-2H2/t3-,4?,5?,6?/m0/s1
InChIKeyCQARAODQRZWMRC-ALMVMMGASA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.03
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (5R)-1-bromo-2,3,5-trifluorocyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2,3-difluorocyclohexane
CID 118181696
1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane
CID 89407524
CID 175569832
CID 175569832
[(1R,2S,3R,5R)-2,3,5-trifluorocyclohexyl]benzene
CID 98042326
1,2-difluoro-3,5-dimethylcyclohexane
CID 89171069
1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane
CID 89198348
1-(2,3-difluorocyclobutyl)oxy-2,3-difluorocyclobutane
CID 175592025
3-bromo-4-fluorooxolane
CID 131701617
trans-(1R,2R)-1-bromo-2-fluorocycloheptane
CID 11446885
(5R)-1-bromo-3-ethyl-5-fluorocyclohexane
CID 130451561
2-fluorocyclopropan-1-amine
CID 10197614
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977

Frequently Asked Questions

What is the IUPAC name of (5R)-1-bromo-2,3,5-trifluorocyclohexane?
The IUPAC name of (5R)-1-bromo-2,3,5-trifluorocyclohexane (CID 146282305) is (5R)-1-bromo-2,3,5-trifluorocyclohexane.
What is the SMILES notation for (5R)-1-bromo-2,3,5-trifluorocyclohexane?
The canonical SMILES for (5R)-1-bromo-2,3,5-trifluorocyclohexane is FC1C[C@@H](F)CC(Br)C1F.
What is the InChIKey of (5R)-1-bromo-2,3,5-trifluorocyclohexane?
The InChIKey is CQARAODQRZWMRC-ALMVMMGASA-N. The full InChI is InChI=1S/C6H8BrF3/c7-4-1-3(8)2-5(9)6(4)10/h3-6H,1-2H2/t3-,4?,5?,6?/m0/s1.
What are the key properties of (5R)-1-bromo-2,3,5-trifluorocyclohexane?
(5R)-1-bromo-2,3,5-trifluorocyclohexane has a molecular weight of 217.03 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-bromo-2,3,5-trifluorocyclohexane is sourced from PubChem (CID 146282305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).