2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride

C8H7ClF6O — CID 13044733

IUPAC2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride
SMILESCC1(C(F)(F)F)C(C(=O)Cl)C1(C)C(F)(F)F
InChIInChI=1S/C8H7ClF6O/c1-5(7(10,11)12)3(4(9)16)6(5,2)8(13,14)15/h3H,1-2H3
InChIKeyBNUKVAMNQBSEAU-UHFFFAOYSA-N
MW268.58 g/mol
LogP3.52
Rot. Bonds1

About 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride

2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride (PubChem CID 13044733) has the molecular formula C8H7ClF6O and a molecular weight of 268.58 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride
PubChem CID13044733
Molecular FormulaC8H7ClF6O
Molecular Weight268.58 g/mol
Exact Mass268.01
IUPAC Name2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride
SMILESCC1(C(F)(F)F)C(C(=O)Cl)C1(C)C(F)(F)F
InChIInChI=1S/C8H7ClF6O/c1-5(7(10,11)12)3(4(9)16)6(5,2)8(13,14)15/h3H,1-2H3
InChIKeyBNUKVAMNQBSEAU-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.58
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride (CID 13044733) is 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride is CC1(C(F)(F)F)C(C(=O)Cl)C1(C)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride?
The InChIKey is BNUKVAMNQBSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF6O/c1-5(7(10,11)12)3(4(9)16)6(5,2)8(13,14)15/h3H,1-2H3.
What are the key properties of 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride?
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride has a molecular weight of 268.58 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 13044733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).