trans-(1R,3R)-1-bromo-3-chlorocyclohexane

C6H10BrCl — CID 130836761

IUPACtrans-(1R,3R)-1-bromo-3-chlorocyclohexane
SMILESCl[C@@H]1CCC[C@@H](Br)C1
InChIInChI=1S/C6H10BrCl/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyGAEPCRDAXVBBNZ-PHDIDXHHSA-N
MW197.50 g/mol
LogP2.93
Rot. Bonds

About trans-(1R,3R)-1-bromo-3-chlorocyclohexane

trans-(1R,3R)-1-bromo-3-chlorocyclohexane (PubChem CID 130836761) has the molecular formula C6H10BrCl and a molecular weight of 197.50 g/mol. Its IUPAC name is trans-(1R,3R)-1-bromo-3-chlorocyclohexane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-bromo-3-chlorocyclohexane
PubChem CID130836761
Molecular FormulaC6H10BrCl
Molecular Weight197.50 g/mol
Exact Mass195.97
IUPAC Nametrans-(1R,3R)-1-bromo-3-chlorocyclohexane
SMILESCl[C@@H]1CCC[C@@H](Br)C1
InChIInChI=1S/C6H10BrCl/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyGAEPCRDAXVBBNZ-PHDIDXHHSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
1,3-dibromo-5-chlorocyclohexane
CID 122583607
cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040
cis-(1R,3S)-1-bromo-3-methylcyclohexane
CID 12768448
trans-(1R,3R)-3-bromocyclohexane-1-carboxylic acid
CID 131191694
(3-chlorocyclohexyl)cycloheptane
CID 82925517
1-bromo-3-prop-2-enylcyclohexane
CID 64508046
3-bromocyclohexane-1-carboxylic acid;indigane
CID 173230710
1,2,4,5,7,9-hexabromocyclododecane
CID 174618529
(1R)-3-chloro-N-methylcyclohexan-1-amine
CID 134365842
bis(3-chlorocyclohexyl)methanamine
CID 141387769
1-chloro-3-(cyclopentylmethyl)cyclohexane
CID 64515899

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-bromo-3-chlorocyclohexane?
The IUPAC name of trans-(1R,3R)-1-bromo-3-chlorocyclohexane (CID 130836761) is trans-(1R,3R)-1-bromo-3-chlorocyclohexane.
What is the SMILES notation for trans-(1R,3R)-1-bromo-3-chlorocyclohexane?
The canonical SMILES for trans-(1R,3R)-1-bromo-3-chlorocyclohexane is Cl[C@@H]1CCC[C@@H](Br)C1.
What is the InChIKey of trans-(1R,3R)-1-bromo-3-chlorocyclohexane?
The InChIKey is GAEPCRDAXVBBNZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10BrCl/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,3R)-1-bromo-3-chlorocyclohexane?
trans-(1R,3R)-1-bromo-3-chlorocyclohexane has a molecular weight of 197.50 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-bromo-3-chlorocyclohexane is sourced from PubChem (CID 130836761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).