1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene

C14H16BrF3 — CID 174885593

IUPAC1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene
SMILESCc1c(CBr)c(F)c(F)c(F)c1C1CCCCC1
InChIInChI=1S/C14H16BrF3/c1-8-10(7-15)12(16)14(18)13(17)11(8)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyLUBBNJWXQDDHAG-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.35
Rot. Bonds2

About 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene

1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene (PubChem CID 174885593) has the molecular formula C14H16BrF3 and a molecular weight of 321.18 g/mol. Its IUPAC name is 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene
PubChem CID174885593
Molecular FormulaC14H16BrF3
Molecular Weight321.18 g/mol
Exact Mass320.04
IUPAC Name1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene
SMILESCc1c(CBr)c(F)c(F)c(F)c1C1CCCCC1
InChIInChI=1S/C14H16BrF3/c1-8-10(7-15)12(16)14(18)13(17)11(8)9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyLUBBNJWXQDDHAG-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.18
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,5-dicyclohexyl-2,3,4-trifluoro-6-propylbenzene
CID 175693935
3-cyclohexyl-1,2-difluoro-4-methylbenzene
CID 131994497
1-(bromomethyl)-2,4,6-trifluoro-3,5-dimethylbenzene
CID 146676084
1-methyl-4-(2,3,4-trifluoro-5,6-dimethylphenyl)piperidine
CID 142507692
3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
CID 141143598
5-(bromomethyl)-2-cyclopentyl-1,3-dimethoxybenzene
CID 165177469
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
4,5-dicyclohexyl-6-ethyl-2-methylbenzene-1,3-diamine
CID 87525753
2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine
CID 87526136
[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]azanium
CID 131875199
2-cyclobutyl-1,3-difluoro-5-methylbenzene;2,2-dimethylpropan-1-ol;ethane
CID 143930115
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene?
The IUPAC name of 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene (CID 174885593) is 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene is Cc1c(CBr)c(F)c(F)c(F)c1C1CCCCC1.
What is the InChIKey of 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene?
The InChIKey is LUBBNJWXQDDHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3/c1-8-10(7-15)12(16)14(18)13(17)11(8)9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene?
1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene has a molecular weight of 321.18 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene is sourced from PubChem (CID 174885593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).