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

C7H9Cl2F3 — CID 121273908

IUPAC1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1C(C)C1(Cl)Cl)C(F)(F)F
InChIInChI=1S/C7H9Cl2F3/c1-3-5(6(3,8)9)4(2)7(10,11)12/h3-5H,1-2H3
InChIKeyKRCXTNNJSCUBLM-UHFFFAOYSA-N
MW221.05 g/mol
LogP3.62
Rot. Bonds1

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

1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273908) has the molecular formula C7H9Cl2F3 and a molecular weight of 221.05 g/mol. Its IUPAC name is 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273908
Molecular FormulaC7H9Cl2F3
Molecular Weight221.05 g/mol
Exact Mass220.00
IUPAC Name1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1C(C)C1(Cl)Cl)C(F)(F)F
InChIInChI=1S/C7H9Cl2F3/c1-3-5(6(3,8)9)4(2)7(10,11)12/h3-5H,1-2H3
InChIKeyKRCXTNNJSCUBLM-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 53.62
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-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273908) is 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C1C(C)C1(Cl)Cl)C(F)(F)F.
What is the InChIKey of 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is KRCXTNNJSCUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2F3/c1-3-5(6(3,8)9)4(2)7(10,11)12/h3-5H,1-2H3.
What are the key properties of 1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1,1-dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 221.05 g/mol, XLogP of 3.62, 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-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).