4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane

C10H16ClF3 — CID 166010831

IUPAC4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane
SMILESCC(C)C1CCC(Cl)CC1C(F)(F)F
InChIInChI=1S/C10H16ClF3/c1-6(2)8-4-3-7(11)5-9(8)10(12,13)14/h6-9H,3-5H2,1-2H3
InChIKeyBZZSGVIBEDRJCE-UHFFFAOYSA-N
MW228.68 g/mol
LogP4.23
Rot. Bonds1

About 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane

4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane (PubChem CID 166010831) has the molecular formula C10H16ClF3 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane
PubChem CID166010831
Molecular FormulaC10H16ClF3
Molecular Weight228.68 g/mol
Exact Mass228.09
IUPAC Name4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane
SMILESCC(C)C1CCC(Cl)CC1C(F)(F)F
InChIInChI=1S/C10H16ClF3/c1-6(2)8-4-3-7(11)5-9(8)10(12,13)14/h6-9H,3-5H2,1-2H3
InChIKeyBZZSGVIBEDRJCE-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 54.23
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 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane (CID 166010831) is 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane is CC(C)C1CCC(Cl)CC1C(F)(F)F.
What is the InChIKey of 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane?
The InChIKey is BZZSGVIBEDRJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3/c1-6(2)8-4-3-7(11)5-9(8)10(12,13)14/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane?
4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane has a molecular weight of 228.68 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propan-2-yl-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 166010831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).