cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane

C8H12BrF3 — CID 170910314

IUPACcis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)[C@@H]1CCCC[C@H]1CBr
InChIInChI=1S/C8H12BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h6-7H,1-5H2/t6-,7+/m0/s1
InChIKeyVTVDLNYWSTZKOE-NKWVEPMBSA-N
MW245.08 g/mol
LogP3.75
Rot. Bonds1

About cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane

cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane (PubChem CID 170910314) has the molecular formula C8H12BrF3 and a molecular weight of 245.08 g/mol. Its IUPAC name is cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
PubChem CID170910314
Molecular FormulaC8H12BrF3
Molecular Weight245.08 g/mol
Exact Mass244.01
IUPAC Namecis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)[C@@H]1CCCC[C@H]1CBr
InChIInChI=1S/C8H12BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h6-7H,1-5H2/t6-,7+/m0/s1
InChIKeyVTVDLNYWSTZKOE-NKWVEPMBSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 53.75
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

(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
CID 11138028
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
1-(isocyanomethyl)-2-(trifluoromethyl)cyclohexane
CID 84771786
1-(2-isocyanatoethyl)-2-(trifluoromethyl)cyclohexane
CID 84787766
1-(2-isocyanoethyl)-2-(trifluoromethyl)cyclopentane
CID 84771788
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
N',N'-dimethyl-N-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433967
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane?
The IUPAC name of cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane (CID 170910314) is cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane is FC(F)(F)[C@@H]1CCCC[C@H]1CBr.
What is the InChIKey of cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane?
The InChIKey is VTVDLNYWSTZKOE-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h6-7H,1-5H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane?
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane has a molecular weight of 245.08 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 170910314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).