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

C9H13BrF4 — CID 84738909

IUPAC1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane
SMILESFC(C1CCC(CBr)CC1)C(F)(F)F
InChIInChI=1S/C9H13BrF4/c10-5-6-1-3-7(4-2-6)8(11)9(12,13)14/h6-8H,1-5H2
InChIKeyZWKDXTJZOQMZPO-UHFFFAOYSA-N
MW277.10 g/mol
LogP4.09
Rot. Bonds2

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

1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane (PubChem CID 84738909) has the molecular formula C9H13BrF4 and a molecular weight of 277.10 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane
PubChem CID84738909
Molecular FormulaC9H13BrF4
Molecular Weight277.10 g/mol
Exact Mass276.01
IUPAC Name1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane
SMILESFC(C1CCC(CBr)CC1)C(F)(F)F
InChIInChI=1S/C9H13BrF4/c10-5-6-1-3-7(4-2-6)8(11)9(12,13)14/h6-8H,1-5H2
InChIKeyZWKDXTJZOQMZPO-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane (CID 84738909) is 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane is FC(C1CCC(CBr)CC1)C(F)(F)F.
What is the InChIKey of 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane?
The InChIKey is ZWKDXTJZOQMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF4/c10-5-6-1-3-7(4-2-6)8(11)9(12,13)14/h6-8H,1-5H2.
What are the key properties of 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane?
1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane has a molecular weight of 277.10 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(1,2,2,2-tetrafluoroethyl)cyclohexane is sourced from PubChem (CID 84738909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).