2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride

C10H9ClF6O — CID 12783446

IUPAC2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C=C(C(F)(F)F)C(F)(F)F)C1C(=O)Cl
InChIInChI=1S/C10H9ClF6O/c1-8(2)4(6(8)7(11)18)3-5(9(12,13)14)10(15,16)17/h3-4,6H,1-2H3
InChIKeyXUUFPIFEEKDLBP-UHFFFAOYSA-N
MW294.62 g/mol
LogP4.07
Rot. Bonds2

About 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride

2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride (PubChem CID 12783446) has the molecular formula C10H9ClF6O and a molecular weight of 294.62 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride
PubChem CID12783446
Molecular FormulaC10H9ClF6O
Molecular Weight294.62 g/mol
Exact Mass294.02
IUPAC Name2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C=C(C(F)(F)F)C(F)(F)F)C1C(=O)Cl
InChIInChI=1S/C10H9ClF6O/c1-8(2)4(6(8)7(11)18)3-5(9(12,13)14)10(15,16)17/h3-4,6H,1-2H3
InChIKeyXUUFPIFEEKDLBP-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride (CID 12783446) is 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride is CC1(C)C(C=C(C(F)(F)F)C(F)(F)F)C1C(=O)Cl.
What is the InChIKey of 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride?
The InChIKey is XUUFPIFEEKDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF6O/c1-8(2)4(6(8)7(11)18)3-5(9(12,13)14)10(15,16)17/h3-4,6H,1-2H3.
What are the key properties of 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride?
2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride has a molecular weight of 294.62 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 12783446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).