1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane

C8H11Cl2F3 — CID 121273904

IUPAC1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1C(C)(C)C1(Cl)Cl)C(F)(F)F
InChIInChI=1S/C8H11Cl2F3/c1-4(8(11,12)13)5-6(2,3)7(5,9)10/h4-5H,1-3H3
InChIKeyXAMIZPMSPFGUAG-UHFFFAOYSA-N
MW235.08 g/mol
LogP4.01
Rot. Bonds1

About 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane

1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273904) has the molecular formula C8H11Cl2F3 and a molecular weight of 235.08 g/mol. Its IUPAC name is 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273904
Molecular FormulaC8H11Cl2F3
Molecular Weight235.08 g/mol
Exact Mass234.02
IUPAC Name1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1C(C)(C)C1(Cl)Cl)C(F)(F)F
InChIInChI=1S/C8H11Cl2F3/c1-4(8(11,12)13)5-6(2,3)7(5,9)10/h4-5H,1-3H3
InChIKeyXAMIZPMSPFGUAG-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 54.01
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-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273904) is 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C1C(C)(C)C1(Cl)Cl)C(F)(F)F.
What is the InChIKey of 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is XAMIZPMSPFGUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2F3/c1-4(8(11,12)13)5-6(2,3)7(5,9)10/h4-5H,1-3H3.
What are the key properties of 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 235.08 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).