1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane

C10H16BrF3O — CID 19099388

IUPAC1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
SMILESFC(F)(F)COCC1CCC(CBr)CC1
InChIInChI=1S/C10H16BrF3O/c11-5-8-1-3-9(4-2-8)6-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyOHUVLGXHEZPVPR-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.77
Rot. Bonds4

About 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane

1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane (PubChem CID 19099388) has the molecular formula C10H16BrF3O and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
PubChem CID19099388
Molecular FormulaC10H16BrF3O
Molecular Weight289.14 g/mol
Exact Mass288.03
IUPAC Name1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
SMILESFC(F)(F)COCC1CCC(CBr)CC1
InChIInChI=1S/C10H16BrF3O/c11-5-8-1-3-9(4-2-8)6-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyOHUVLGXHEZPVPR-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
(1,2-Dibromo-2-ethoxy-3,3,3-trifluoropropyl)cyclohexane
CID 15398555
4-(1,1,2-Trifluoro-2-trifluoromethoxyethoxy)methyl-cyclohexylmethyl-bromide
CID 19099392
1-(2-Methylpropoxymethyl)-4-(trifluoromethyl)cyclohexane
CID 134192346
1-(Propoxymethyl)-4-(trifluoromethyl)cyclohexane
CID 134192357
1-(Ethoxymethyl)-4-(trifluoromethyl)cyclohexane
CID 141847325
1-(Pentoxymethyl)-4-(trifluoromethyl)cyclohexane
CID 145853485
1-(Butoxymethyl)-4-(trifluoromethyl)cyclohexane
CID 155200980
1-(2-Methylbutoxymethyl)-4-(trifluoromethyl)cyclohexane
CID 155200986
1-Bromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 61733932
1-Bromo-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 61734134
1-(Bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 62107097

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane (CID 19099388) is 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane is FC(F)(F)COCC1CCC(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
The InChIKey is OHUVLGXHEZPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c11-5-8-1-3-9(4-2-8)6-15-7-10(12,13)14/h8-9H,1-7H2.
What are the key properties of 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane?
1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane has a molecular weight of 289.14 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane is sourced from PubChem (CID 19099388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).