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

C9H13Cl2F3 — CID 121274004

IUPAC1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)C(C)(C)C1(Cl)Cl
InChIInChI=1S/C9H13Cl2F3/c1-5(8(12,13)14)7(4)6(2,3)9(7,10)11/h5H,1-4H3
InChIKeyQHUWKXPTYPRAKV-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.40
Rot. Bonds1

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

1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121274004) has the molecular formula C9H13Cl2F3 and a molecular weight of 249.10 g/mol. Its IUPAC name is 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121274004
Molecular FormulaC9H13Cl2F3
Molecular Weight249.10 g/mol
Exact Mass248.03
IUPAC Name1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)C(C)(C)C1(Cl)Cl
InChIInChI=1S/C9H13Cl2F3/c1-5(8(12,13)14)7(4)6(2,3)9(7,10)11/h5H,1-4H3
InChIKeyQHUWKXPTYPRAKV-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

2-(2,2-Dichloro-3,3,3-trifluoropropyl)-1,1,3-trimethylcyclopropane
CID 70536306
2-(2,2-Dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
CID 70536698
2-(2-Chloroethyl)-1-methyl-1-(trifluoromethyl)cyclopropane
CID 117620493
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
2-Chloro-1,1-dimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273903
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
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
1,1,3-Trichloro-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273991
2-(Chloromethyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273995

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121274004) is 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C(F)(F)F)C1(C)C(C)(C)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is QHUWKXPTYPRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2F3/c1-5(8(12,13)14)7(4)6(2,3)9(7,10)11/h5H,1-4H3.
What are the key properties of 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 249.10 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,3-trimethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121274004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).