1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

C7H9Br2F3 — CID 121273998

IUPAC1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)CC1(Br)Br
InChIInChI=1S/C7H9Br2F3/c1-4(7(10,11)12)5(2)3-6(5,8)9/h4H,3H2,1-2H3
InChIKeyBYSFHHKVNXAITM-UHFFFAOYSA-N
MW309.95 g/mol
LogP4.08
Rot. Bonds1

About 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273998) has the molecular formula C7H9Br2F3 and a molecular weight of 309.95 g/mol. Its IUPAC name is 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273998
Molecular FormulaC7H9Br2F3
Molecular Weight309.95 g/mol
Exact Mass307.90
IUPAC Name1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)CC1(Br)Br
InChIInChI=1S/C7H9Br2F3/c1-4(7(10,11)12)5(2)3-6(5,8)9/h4H,3H2,1-2H3
InChIKeyBYSFHHKVNXAITM-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 54.08
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-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273998) is 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C(F)(F)F)C1(C)CC1(Br)Br.
What is the InChIKey of 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is BYSFHHKVNXAITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2F3/c1-4(7(10,11)12)5(2)3-6(5,8)9/h4H,3H2,1-2H3.
What are the key properties of 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 309.95 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).