2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane

C9H13Cl2F3 — CID 70536306

IUPAC2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane
SMILESCC1C(CC(Cl)(Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C9H13Cl2F3/c1-5-6(7(5,2)3)4-8(10,11)9(12,13)14/h5-6H,4H2,1-3H3
InChIKeyAWOVSAGXAUEKKK-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.40
Rot. Bonds2

About 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane

2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane (PubChem CID 70536306) has the molecular formula C9H13Cl2F3 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Name2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane
PubChem CID70536306
Molecular FormulaC9H13Cl2F3
Molecular Weight249.10 g/mol
Exact Mass248.03
IUPAC Name2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane
SMILESCC1C(CC(Cl)(Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C9H13Cl2F3/c1-5-6(7(5,2)3)4-8(10,11)9(12,13)14/h5-6H,4H2,1-3H3
InChIKeyAWOVSAGXAUEKKK-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dichloro-2,2-difluoro-3-hexylcyclopropane
CID 101056233
2-(2,2-Dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
CID 70536698
2-(2-chloroethyl)-1-(trifluoromethyl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane
CID 117620504
1,1-dichloro-2-methyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane
CID 117620598
2-(2-Chloroethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane
CID 117620678
1,1-Dichloro-2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273904
1,1-Dichloro-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273908
2-(2-Chloroethyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273973
1,1-Dichloro-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273979
1,1-Dichloro-2,3-dimethyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273989
1,1-Dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274004
1,1-Dichloro-2-ethyl-3-methyl-2-(trifluoromethyl)cyclopropane
CID 121274027

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane?
The IUPAC name of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane (CID 70536306) is 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane.
What is the SMILES notation for 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane?
The canonical SMILES for 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane is CC1C(CC(Cl)(Cl)C(F)(F)F)C1(C)C.
What is the InChIKey of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane?
The InChIKey is AWOVSAGXAUEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2F3/c1-5-6(7(5,2)3)4-8(10,11)9(12,13)14/h5-6H,4H2,1-3H3.
What are the key properties of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane?
2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane has a molecular weight of 249.10 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 70536306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).