1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane

C10H16ClF3 — CID 79308402

IUPAC1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane
SMILESCCC(Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16ClF3/c1-2-9(11)7-3-5-8(6-4-7)10(12,13)14/h7-9H,2-6H2,1H3
InChIKeyCUPQYNRXPVHAER-UHFFFAOYSA-N
MW228.68 g/mol
LogP4.37
Rot. Bonds2

About 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane

1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane (PubChem CID 79308402) has the molecular formula C10H16ClF3 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane
PubChem CID79308402
Molecular FormulaC10H16ClF3
Molecular Weight228.68 g/mol
Exact Mass228.09
IUPAC Name1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane
SMILESCCC(Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16ClF3/c1-2-9(11)7-3-5-8(6-4-7)10(12,13)14/h7-9H,2-6H2,1H3
InChIKeyCUPQYNRXPVHAER-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 54.37
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-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane (CID 79308402) is 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane is CCC(Cl)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane?
The InChIKey is CUPQYNRXPVHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3/c1-2-9(11)7-3-5-8(6-4-7)10(12,13)14/h7-9H,2-6H2,1H3.
What are the key properties of 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane?
1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane has a molecular weight of 228.68 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropyl)-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 79308402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).